6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane

C117H124Cl6FN23O25 — CID 157174649

IUPAC6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane
SMILESC1CCOCC1.COC(=O)c1cc(C#N)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.N#Cc1cc(C(=O)O)c(N2CCOCC2)cn1.O=C(O)c1cc(Cl)ncc1N1CCOCC1
InChIInChI=1S/2C20H19ClN4O3.C12H13N3O3.2C11H13ClN2O3.C11H11N3O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c2*1-12-8-19(26)24-16-3-2-13(9-14(12)16)23-20(27)15-10-18(21)22-11-17(15)25-4-6-28-7-5-25;1-17-12(16)10-6-9(7-13)14-8-11(10)15-2-4-18-5-3-15;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;12-6-8-5-9(11(15)16)10(7-13-8)14-1-3-17-4-2-14;11-9-5-7(10(14)15)8(6-12-9)13-1-3-16-4-2-13;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;1-2-4-6-5-3-1/h2*2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;5,7H,1-4H2,(H,15,16);5-6H,1-4H2,(H,14,15);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;1-5H2
InChIKeyANWDVYMABGREFC-UHFFFAOYSA-N
MW2484.13 g/mol
LogP15.26
Rot. Bonds17

About 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane

6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane (PubChem CID 157174649) has the molecular formula C117H124Cl6FN23O25 and a molecular weight of 2484.13 g/mol. Its IUPAC name is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane.

Molecular Properties

Compound Name6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane
PubChem CID157174649
Molecular FormulaC117H124Cl6FN23O25
Molecular Weight2484.13 g/mol
Exact Mass2479.73
IUPAC Name6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane
SMILESC1CCOCC1.COC(=O)c1cc(C#N)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.N#Cc1cc(C(=O)O)c(N2CCOCC2)cn1.O=C(O)c1cc(Cl)ncc1N1CCOCC1
InChIInChI=1S/2C20H19ClN4O3.C12H13N3O3.2C11H13ClN2O3.C11H11N3O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c2*1-12-8-19(26)24-16-3-2-13(9-14(12)16)23-20(27)15-10-18(21)22-11-17(15)25-4-6-28-7-5-25;1-17-12(16)10-6-9(7-13)14-8-11(10)15-2-4-18-5-3-15;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;12-6-8-5-9(11(15)16)10(7-13-8)14-1-3-17-4-2-14;11-9-5-7(10(14)15)8(6-12-9)13-1-3-16-4-2-13;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;1-2-4-6-5-3-1/h2*2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;5,7H,1-4H2,(H,15,16);5-6H,1-4H2,(H,14,15);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;1-5H2
InChIKeyANWDVYMABGREFC-UHFFFAOYSA-N
XLogP15.26
TPSA609.82 Ų
H-Bond Donors8
H-Bond Acceptors41
Rotatable Bonds17
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002484.13
LogP ≤ 515.26
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1041

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;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane with MolForge

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Related Compounds

magnesium;6-amino-4-methyl-1H-quinolin-2-one;carbanide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylic acid;2-cyano-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-(4-methyl-2-oxo-1H-quinolin-6-yl)pyridine-4-carboxamide;N,N-dimethyl-1-pyrrolidin-2-ylmethanamine;methyl 2-chloro-5-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carboxylate;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bromide
CID 158016232
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;3-fluoropyrrolidine;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-(3-fluoropyrrolidin-1-yl)pyridine-4-carboxylate)
CID 160082359
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
6-amino-4-methyl-1H-quinolin-2-one;2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide;2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);oxane
CID 161247839
1-[4-(4-Aminophenyl)piperazin-1-yl]ethanone;4-(benzylamino)-6-chloropyridine-3-carboxamide;4-(benzylamino)-6-chloropyridine-3-carboxylic acid;methane;methyl 4-(benzylamino)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 161262912
1-[4-(4-Aminophenyl)piperazin-1-yl]ethanone;4-(benzylamino)-6-chloropyridine-3-carboxamide;4-(benzylamino)-6-chloropyridine-3-carboxylic acid;methyl 4-(benzylamino)-6-chloropyridine-3-carboxylate;methyl 4,6-dichloropyridine-3-carboxylate
CID 161962677

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane?
The IUPAC name of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane (CID 157174649) is 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane.
What is the SMILES notation for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane?
The canonical SMILES for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane is C1CCOCC1.COC(=O)c1cc(C#N)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1F.COC(=O)c1cc(Cl)ncc1N1CCOCC1.COC(=O)c1cc(Cl)ncc1N1CCOCC1.Cc1cc(=O)[nH]c2ccc(N)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.N#Cc1cc(C(=O)O)c(N2CCOCC2)cn1.O=C(O)c1cc(Cl)ncc1N1CCOCC1.
What is the InChIKey of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane?
The InChIKey is ANWDVYMABGREFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H19ClN4O3.C12H13N3O3.2C11H13ClN2O3.C11H11N3O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c2*1-12-8-19(26)24-16-3-2-13(9-14(12)16)23-20(27)15-10-18(21)22-11-17(15)25-4-6-28-7-5-25;1-17-12(16)10-6-9(7-13)14-8-11(10)15-2-4-18-5-3-15;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;12-6-8-5-9(11(15)16)10(7-13-8)14-1-3-17-4-2-14;11-9-5-7(10(14)15)8(6-12-9)13-1-3-16-4-2-13;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;1-2-4-6-5-3-1/h2*2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);6,8H,2-5H2,1H3;2*6-7H,2-5H2,1H3;5,7H,1-4H2,(H,15,16);5-6H,1-4H2,(H,14,15);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;1-5H2.
What are the key properties of 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane?
6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane has a molecular weight of 2484.13 g/mol, XLogP of 15.26, 17 rotatable bonds, 8 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1H-quinolin-2-one;bis(2-chloro-N-(4-methyl-2-oxo-1H-quinolin-6-yl)-5-morpholin-4-ylpyridine-4-carboxamide);2-chloro-5-morpholin-4-ylpyridine-4-carboxylic acid;2-cyano-5-morpholin-4-ylpyridine-4-carboxylic acid;methyl 2-chloro-5-fluoropyridine-4-carboxylate;bis(methyl 2-chloro-5-morpholin-4-ylpyridine-4-carboxylate);methyl 2-cyano-5-morpholin-4-ylpyridine-4-carboxylate;oxane is sourced from PubChem (CID 157174649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).