6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate

C106H103Cl4F8N23O15 — CID 160925282

IUPAC6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)ncc1N1CCC(F)C1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCC(F)C1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCC(F)C3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCC(F)C3)cc12.FC1CCNC1.N#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1.O=C(O)c1cc(Cl)ncc1N1CCC(F)C1
InChIInChI=1S/C21H18FN5O2.C20H18ClFN4O2.C12H12FN3O2.C11H12ClFN2O2.C11H10FN3O2.C10H10ClFN2O2.C10H10N2O.C7H5ClFNO2.C4H8FN/c1-12-6-20(28)26-18-3-2-14(7-16(12)18)25-21(29)17-8-15(9-23)24-10-19(17)27-5-4-13(22)11-27;1-11-6-19(27)25-16-3-2-13(7-14(11)16)24-20(28)15-8-18(21)23-9-17(15)26-5-4-12(22)10-26;1-18-12(17)10-4-9(5-14)15-6-11(10)16-3-2-8(13)7-16;1-17-11(16)8-4-10(12)14-5-9(8)15-3-2-7(13)6-15;12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17;11-9-3-7(10(15)16)8(4-13-9)14-2-1-6(12)5-14;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;5-4-1-2-6-3-4/h2-3,6-8,10,13H,4-5,11H2,1H3,(H,25,29)(H,26,28);2-3,6-9,12H,4-5,10H2,1H3,(H,24,28)(H,25,27);4,6,8H,2-3,7H2,1H3;4-5,7H,2-3,6H2,1H3;3,5,7H,1-2,6H2,(H,16,17);3-4,6H,1-2,5H2,(H,15,16);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;4,6H,1-3H2
InChIKeySSOBYDVYLAXLAS-UHFFFAOYSA-N
MW2232.93 g/mol
LogP16.53
Rot. Bonds15

About 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate

6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate (PubChem CID 160925282) has the molecular formula C106H103Cl4F8N23O15 and a molecular weight of 2232.93 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Name6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate
PubChem CID160925282
Molecular FormulaC106H103Cl4F8N23O15
Molecular Weight2232.93 g/mol
Exact Mass2229.66
IUPAC Name6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(C#N)ncc1N1CCC(F)C1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCC(F)C1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCC(F)C3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCC(F)C3)cc12.FC1CCNC1.N#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1.O=C(O)c1cc(Cl)ncc1N1CCC(F)C1
InChIInChI=1S/C21H18FN5O2.C20H18ClFN4O2.C12H12FN3O2.C11H12ClFN2O2.C11H10FN3O2.C10H10ClFN2O2.C10H10N2O.C7H5ClFNO2.C4H8FN/c1-12-6-20(28)26-18-3-2-14(7-16(12)18)25-21(29)17-8-15(9-23)24-10-19(17)27-5-4-13(22)11-27;1-11-6-19(27)25-16-3-2-13(7-14(11)16)24-20(28)15-8-18(21)23-9-17(15)26-5-4-12(22)10-26;1-18-12(17)10-4-9(5-14)15-6-11(10)16-3-2-8(13)7-16;1-17-11(16)8-4-10(12)14-5-9(8)15-3-2-7(13)6-15;12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17;11-9-3-7(10(15)16)8(4-13-9)14-2-1-6(12)5-14;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;5-4-1-2-6-3-4/h2-3,6-8,10,13H,4-5,11H2,1H3,(H,25,29)(H,26,28);2-3,6-9,12H,4-5,10H2,1H3,(H,24,28)(H,25,27);4,6,8H,2-3,7H2,1H3;4-5,7H,2-3,6H2,1H3;3,5,7H,1-2,6H2,(H,16,17);3-4,6H,1-2,5H2,(H,15,16);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;4,6H,1-3H2
InChIKeySSOBYDVYLAXLAS-UHFFFAOYSA-N
XLogP16.53
TPSA529.37 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds15
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002232.93
LogP ≤ 516.53
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate (CID 160925282) is 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(C#N)ncc1N1CCC(F)C1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCC(F)C1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(C#N)ncc3N3CCC(F)C3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCC(F)C3)cc12.FC1CCNC1.N#Cc1cc(C(=O)O)c(N2CCC(F)C2)cn1.O=C(O)c1cc(Cl)ncc1N1CCC(F)C1.
What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate?
The InChIKey is SSOBYDVYLAXLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2.C20H18ClFN4O2.C12H12FN3O2.C11H12ClFN2O2.C11H10FN3O2.C10H10ClFN2O2.C10H10N2O.C7H5ClFNO2.C4H8FN/c1-12-6-20(28)26-18-3-2-14(7-16(12)18)25-21(29)17-8-15(9-23)24-10-19(17)27-5-4-13(22)11-27;1-11-6-19(27)25-16-3-2-13(7-14(11)16)24-20(28)15-8-18(21)23-9-17(15)26-5-4-12(22)10-26;1-18-12(17)10-4-9(5-14)15-6-11(10)16-3-2-8(13)7-16;1-17-11(16)8-4-10(12)14-5-9(8)15-3-2-7(13)6-15;12-7-1-2-15(6-7)10-5-14-8(4-13)3-9(10)11(16)17;11-9-3-7(10(15)16)8(4-13-9)14-2-1-6(12)5-14;1-6-4-10(13)12-9-3-2-7(11)5-8(6)9;1-12-7(11)4-2-6(8)10-3-5(4)9;5-4-1-2-6-3-4/h2-3,6-8,10,13H,4-5,11H2,1H3,(H,25,29)(H,26,28);2-3,6-9,12H,4-5,10H2,1H3,(H,24,28)(H,25,27);4,6,8H,2-3,7H2,1H3;4-5,7H,2-3,6H2,1H3;3,5,7H,1-2,6H2,(H,16,17);3-4,6H,1-2,5H2,(H,15,16);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;4,6H,1-3H2.
What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate?
6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate has a molecular weight of 2232.93 g/mol, XLogP of 16.53, 15 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1H-quinolin-2-one;2-chloro-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;2-cyano-5-(3-fluoropyrrolidin-1-yl)-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylic acid;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate;methyl 2-cyano-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 160925282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).