1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

C18H19ClN2O — CID 22182590

IUPAC1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C(Nc2cccc(Cl)c2)CC1C
InChIInChI=1S/C18H19ClN2O/c1-12-10-17(20-15-7-5-6-14(19)11-15)16-8-3-4-9-18(16)21(12)13(2)22/h3-9,11-12,17,20H,10H2,1-2H3
InChIKeyJBBRQPKUYDLTHH-UHFFFAOYSA-N
MW314.82 g/mol
LogP4.64
Rot. Bonds2

About 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone

1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (PubChem CID 22182590) has the molecular formula C18H19ClN2O and a molecular weight of 314.82 g/mol. Its IUPAC name is 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
PubChem CID22182590
Molecular FormulaC18H19ClN2O
Molecular Weight314.82 g/mol
Exact Mass314.12
IUPAC Name1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2C(Nc2cccc(Cl)c2)CC1C
InChIInChI=1S/C18H19ClN2O/c1-12-10-17(20-15-7-5-6-14(19)11-15)16-8-3-4-9-18(16)21(12)13(2)22/h3-9,11-12,17,20H,10H2,1-2H3
InChIKeyJBBRQPKUYDLTHH-UHFFFAOYSA-N
XLogP4.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.82
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4S)-4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 10269267
1-[4-(3,5-dichloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182587
1-[4-(3-chloro-4-methoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139907900
1-[4-(2-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 22182571
1-[(2R,4S)-4-(3-chloroanilino)-2-methyl-6-(4-piperidin-1-ylphenyl)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 52933250
1-[2-methyl-4-(2-methylanilino)-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25253600
1-[4-[4-(methoxymethyl)anilino]-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 25254317
N-[3-[(2S,4R)-1-acetyl-4-(4-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-6-yl]phenyl]acetamide
CID 135125424
1-[(2R,4S)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-2,2-dimethylpropan-1-one
CID 695224
1-[(2R,4S)-4-(3,5-dimethyl-4-phenylmethoxyanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 10223541
1-[(2R,4R)-4-anilino-2-methyl-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 6545672
1-[(2S,4R)-4-(1,3-benzoxazol-2-ylamino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 139907916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The IUPAC name of 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone (CID 22182590) is 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is CC(=O)N1c2ccccc2C(Nc2cccc(Cl)c2)CC1C.
What is the InChIKey of 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
The InChIKey is JBBRQPKUYDLTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O/c1-12-10-17(20-15-7-5-6-14(19)11-15)16-8-3-4-9-18(16)21(12)13(2)22/h3-9,11-12,17,20H,10H2,1-2H3.
What are the key properties of 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone?
1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone has a molecular weight of 314.82 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chloroanilino)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]ethanone is sourced from PubChem (CID 22182590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).