1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide

C24H23ClN4O2 — CID 58032145

IUPAC1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)Nc3cccnc3)cc2C(Nc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C24H23ClN4O2/c1-15-12-22(27-19-8-6-18(25)7-9-19)21-13-17(5-10-23(21)29(15)16(2)30)24(31)28-20-4-3-11-26-14-20/h3-11,13-15,22,27H,12H2,1-2H3,(H,28,31)
InChIKeyJVYQJCSALIOTPR-UHFFFAOYSA-N
MW434.93 g/mol
LogP5.29
Rot. Bonds4

About 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide

1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 58032145) has the molecular formula C24H23ClN4O2 and a molecular weight of 434.93 g/mol. Its IUPAC name is 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID58032145
Molecular FormulaC24H23ClN4O2
Molecular Weight434.93 g/mol
Exact Mass434.15
IUPAC Name1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCC(=O)N1c2ccc(C(=O)Nc3cccnc3)cc2C(Nc2ccc(Cl)cc2)CC1C
InChIInChI=1S/C24H23ClN4O2/c1-15-12-22(27-19-8-6-18(25)7-9-19)21-13-17(5-10-23(21)29(15)16(2)30)24(31)28-20-4-3-11-26-14-20/h3-11,13-15,22,27H,12H2,1-2H3,(H,28,31)
InChIKeyJVYQJCSALIOTPR-UHFFFAOYSA-N
XLogP5.29
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.93
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

1-acetyl-4-(4-chloroanilino)-N-(2-hydroxyethyl)-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 58032196
N-[3-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135125424
methyl 4-[1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]benzoate
CID 70309575
(2S,4R)-1-acetyl-4-(4-chloroanilino)-N-(3-ethoxy-3-methylbutyl)-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 166739970
1-[4-(4-chloroanilino)-2-methyl-6-(1H-pyrrol-2-yl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 67208060
1-[4-(4-chloroanilino)-6-[(3R,5S)-3,5-dimethylmorpholin-4-yl]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 66625850
3-[1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]propanoic acid
CID 90373971
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(dimethylamino)ethyl]benzamide
CID 70976532
[(2R,4S)-6-fluoro-4-(4-fluoroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-pyridin-3-ylmethanone
CID 171984662
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
(2S,4R)-1-acetyl-4-[4-(2-amino-2-oxoethyl)anilino]-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 66625459
4-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]-N-[2-(2-aminoethoxy)ethyl]benzamide
CID 168737201

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 58032145) is 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide is CC(=O)N1c2ccc(C(=O)Nc3cccnc3)cc2C(Nc2ccc(Cl)cc2)CC1C.
What is the InChIKey of 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is JVYQJCSALIOTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2/c1-15-12-22(27-19-8-6-18(25)7-9-19)21-13-17(5-10-23(21)29(15)16(2)30)24(31)28-20-4-3-11-26-14-20/h3-11,13-15,22,27H,12H2,1-2H3,(H,28,31).
What are the key properties of 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide?
1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 434.93 g/mol, XLogP of 5.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-(4-chloroanilino)-2-methyl-N-pyridin-3-yl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 58032145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).