6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane

About 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane

6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane (PubChem CID 159043076) has the molecular formula C81H84Cl3N13O11 and a molecular weight of 1522.00 g/mol. Its IUPAC name is 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane.

Molecular Properties

Compound Name	6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane
PubChem CID	159043076
Molecular Formula	C81H84Cl3N13O11
Molecular Weight	1522.00 g/mol
Exact Mass	1519.55
IUPAC Name	6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane
SMILES	C1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1N.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1Cl.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1Cl.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1N1CCOCC1.Cc1ccnc(Cl)c1C(=O)O
InChI	InChI=1S/C22H24N4O3.2C18H16ClN3O2.C11H12N2O.C7H6ClNO2.C5H10O/c1-13-4-5-23-21(26-6-8-29-9-7-26)20(13)22(28)25-17-12-16-14(2)11-19(27)24-18(16)10-15(17)3;21-9-4-5-20-17(19)16(9)18(24)22-13-8-12-10(2)7-15(23)21-14(12)6-11(13)3;1-6-4-11(14)13-10-3-7(2)9(12)5-8(6)10;1-4-2-3-9-6(8)5(4)7(10)11;1-2-4-6-5-3-1/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)(H,25,28);24-8H,1-3H3,(H,21,23)(H,22,24);3-5H,12H2,1-2H3,(H,13,14);2-3H,1H3,(H,10,11);1-5H2
InChIKey	JWHWQFIECGLLQR-UHFFFAOYSA-N
XLogP	15.10
TPSA	355.32 Å²
H-Bond Donors	9
H-Bond Acceptors	16
Rotatable Bonds	8
Heavy Atoms	108
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1522.00
LogP ≤ 5	15.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane?

The IUPAC name of 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane (CID 159043076) is 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane.

What is the SMILES notation for 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane?

The canonical SMILES for 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane is C1CCOCC1.Cc1cc2[nH]c(=O)cc(C)c2cc1N.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1Cl.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1Cl.Cc1cc2[nH]c(=O)cc(C)c2cc1NC(=O)c1c(C)ccnc1N1CCOCC1.Cc1ccnc(Cl)c1C(=O)O.

What is the InChIKey of 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane?

The InChIKey is JWHWQFIECGLLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3.2C18H16ClN3O2.C11H12N2O.C7H6ClNO2.C5H10O/c1-13-4-5-23-21(26-6-8-29-9-7-26)20(13)22(28)25-17-12-16-14(2)11-19(27)24-18(16)10-15(17)3;2*1-9-4-5-20-17(19)16(9)18(24)22-13-8-12-10(2)7-15(23)21-14(12)6-11(13)3;1-6-4-11(14)13-10-3-7(2)9(12)5-8(6)10;1-4-2-3-9-6(8)5(4)7(10)11;1-2-4-6-5-3-1/h4-5,10-12H,6-9H2,1-3H3,(H,24,27)(H,25,28);2*4-8H,1-3H3,(H,21,23)(H,22,24);3-5H,12H2,1-2H3,(H,13,14);2-3H,1H3,(H,10,11);1-5H2.

What are the key properties of 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane?

Where does this data come from?

All data for 6-amino-4,7-dimethyl-1H-quinolin-2-one;bis(2-chloro-N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methylpyridine-3-carboxamide);2-chloro-4-methylpyridine-3-carboxylic acid;N-(4,7-dimethyl-2-oxo-1H-quinolin-6-yl)-4-methyl-2-morpholin-4-ylpyridine-3-carboxamide;oxane is sourced from PubChem (CID 159043076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).