7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride

C73H54Cl7N7O15P+ — CID 160699595

IUPAC7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(=O)[nH]c2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc[n+](O)c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H9NO2.C10H6ClNO2.2C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-7(13)9-3-2-8-4-5-11(14)12-10(8)6-9;11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;12-10(13)8-4-3-7-2-1-5-11(14)9(7)6-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-6H,1H3,(H,12,14);1-5H,(H,13,14);1-5H,(H,11,12)(H,13,14);1-6H,(H-,12,13,14);1-6H,(H,12,13);;1H/p+1
InChIKeyORGMHWNBOSPLMK-UHFFFAOYSA-O
MW1548.41 g/mol
LogP17.95
Rot. Bonds7

About 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride

7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride (PubChem CID 160699595) has the molecular formula C73H54Cl7N7O15P+ and a molecular weight of 1548.41 g/mol. Its IUPAC name is 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
PubChem CID160699595
Molecular FormulaC73H54Cl7N7O15P+
Molecular Weight1548.41 g/mol
Exact Mass1544.12
IUPAC Name7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride
SMILESCC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(=O)[nH]c2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc[n+](O)c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl
InChIInChI=1S/2C11H8ClNO.C11H9NO2.C10H6ClNO2.2C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-7(13)9-3-2-8-4-5-11(14)12-10(8)6-9;11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;12-10(13)8-4-3-7-2-1-5-11(14)9(7)6-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-6H,1H3,(H,12,14);1-5H,(H,13,14);1-5H,(H,11,12)(H,13,14);1-6H,(H-,12,13,14);1-6H,(H,12,13);;1H/p+1
InChIKeyORGMHWNBOSPLMK-UHFFFAOYSA-O
XLogP17.95
TPSA358.87 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms103
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001548.41
LogP ≤ 517.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride 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 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride?
The IUPAC name of 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride (CID 160699595) is 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride.
What is the SMILES notation for 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride?
The canonical SMILES for 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride is CC(=O)c1ccc2c(Cl)ccnc2c1.CC(=O)c1ccc2ccc(=O)[nH]c2c1.CC(=O)c1ccc2ccc(Cl)nc2c1.Cl.O=C(O)c1ccc2c(=O)cc[nH]c2c1.O=C(O)c1ccc2c(Cl)ccnc2c1.O=C(O)c1ccc2ccc[n+](O)c2c1.O=C(O)c1ccc2cccnc2c1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride?
The InChIKey is ORGMHWNBOSPLMK-UHFFFAOYSA-O. The full InChI is InChI=1S/2C11H8ClNO.C11H9NO2.C10H6ClNO2.2C10H7NO3.C10H7NO2.Cl3OP.ClH/c1-7(14)8-2-3-9-10(12)4-5-13-11(9)6-8;1-7(14)9-3-2-8-4-5-11(12)13-10(8)6-9;1-7(13)9-3-2-8-4-5-11(14)12-10(8)6-9;11-8-3-4-12-9-5-6(10(13)14)1-2-7(8)9;12-9-3-4-11-8-5-6(10(13)14)1-2-7(8)9;12-10(13)8-4-3-7-2-1-5-11(14)9(7)6-8;12-10(13)8-4-3-7-2-1-5-11-9(7)6-8;1-5(2,3)4;/h2*2-6H,1H3;2-6H,1H3,(H,12,14);1-5H,(H,13,14);1-5H,(H,11,12)(H,13,14);1-6H,(H-,12,13,14);1-6H,(H,12,13);;1H/p+1.
What are the key properties of 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride?
7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride has a molecular weight of 1548.41 g/mol, XLogP of 17.95, 7 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-1H-quinolin-2-one;4-chloroquinoline-7-carboxylic acid;1-(2-chloroquinolin-7-yl)ethanone;1-(4-chloroquinolin-7-yl)ethanone;1-hydroxyquinolin-1-ium-7-carboxylic acid;4-oxo-1H-quinoline-7-carboxylic acid;phosphoryl trichloride;quinoline-7-carboxylic acid;hydrochloride is sourced from PubChem (CID 160699595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).