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

C95H100Cl5FN18O19 — CID 161247839

IUPAC6-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
SMILESC1CCOCC1.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(C#N)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.O=C(O)c1cc(Cl)ncc1N1CCOCC1
InChIInChI=1S/C21H19N5O3.C20H19ClN4O3.2C11H13ClN2O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c1-13-8-20(27)25-18-3-2-14(9-16(13)18)24-21(28)17-10-15(11-22)23-12-19(17)26-4-6-29-7-5-26;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;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;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/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,25,27);2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);2*6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;1-5H2
InChIKeyVAWGTERIAMQYJL-UHFFFAOYSA-N
MW1994.21 g/mol
LogP13.42
Rot. Bonds13

About 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

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 (PubChem CID 161247839) has the molecular formula C95H100Cl5FN18O19 and a molecular weight of 1994.21 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID161247839
Molecular FormulaC95H100Cl5FN18O19
Molecular Weight1994.21 g/mol
Exact Mass1990.58
IUPAC Name6-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
SMILESC1CCOCC1.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(C#N)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.O=C(O)c1cc(Cl)ncc1N1CCOCC1
InChIInChI=1S/C21H19N5O3.C20H19ClN4O3.2C11H13ClN2O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c1-13-8-20(27)25-18-3-2-14(9-16(13)18)24-21(28)17-10-15(11-22)23-12-19(17)26-4-6-29-7-5-26;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;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;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/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,25,27);2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);2*6-7H,2-5H2,1H3;5-6H,1-4H2,(H,14,15);2-5H,11H2,1H3,(H,12,13);2-3H,1H3;1-5H2
InChIKeyVAWGTERIAMQYJL-UHFFFAOYSA-N
XLogP13.42
TPSA471.71 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001994.21
LogP ≤ 513.42
H-Bond Donors ≤ 57
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'}

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1CCOCC1.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(C#N)ncc3N3CCOCC3)cc12.Cc1cc(=O)[nH]c2ccc(NC(=O)c3cc(Cl)ncc3N3CCOCC3)cc12.O=C(O)c1cc(Cl)ncc1N1CCOCC1.
What is the InChIKey of 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?
The InChIKey is VAWGTERIAMQYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3.C20H19ClN4O3.2C11H13ClN2O3.C10H11ClN2O3.C10H10N2O.C7H5ClFNO2.C5H10O/c1-13-8-20(27)25-18-3-2-14(9-16(13)18)24-21(28)17-10-15(11-22)23-12-19(17)26-4-6-29-7-5-26;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;2*1-16-11(15)8-6-10(12)13-7-9(8)14-2-4-17-5-3-14;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/h2-3,8-10,12H,4-7H2,1H3,(H,24,28)(H,25,27);2-3,8-11H,4-7H2,1H3,(H,23,27)(H,24,26);2*6-7H,2-5H2,1H3;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;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?
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 has a molecular weight of 1994.21 g/mol, XLogP of 13.42, 13 rotatable bonds, 7 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-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 is sourced from PubChem (CID 161247839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).