4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde

C17H16ClNO — CID 114843838

IUPAC4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESCC1CCc2ccccc2N1c1cc(Cl)ccc1C=O
InChIInChI=1S/C17H16ClNO/c1-12-6-7-13-4-2-3-5-16(13)19(12)17-10-15(18)9-8-14(17)11-20/h2-5,8-12H,6-7H2,1H3
InChIKeyQOLQJRKTARJPNT-UHFFFAOYSA-N
MW285.77 g/mol
LogP4.63
Rot. Bonds2

About 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde

4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (PubChem CID 114843838) has the molecular formula C17H16ClNO and a molecular weight of 285.77 g/mol. Its IUPAC name is 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.

Molecular Properties

Compound Name4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
PubChem CID114843838
Molecular FormulaC17H16ClNO
Molecular Weight285.77 g/mol
Exact Mass285.09
IUPAC Name4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde
SMILESCC1CCc2ccccc2N1c1cc(Cl)ccc1C=O
InChIInChI=1S/C17H16ClNO/c1-12-6-7-13-4-2-3-5-16(13)19(12)17-10-15(18)9-8-14(17)11-20/h2-5,8-12H,6-7H2,1H3
InChIKeyQOLQJRKTARJPNT-UHFFFAOYSA-N
XLogP4.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde 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

GNF-Pf-3174
CID 410965
(+/-)-N-(1-(4-chlorobenzoyl)-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-N-phenylacetamide
CID 10251489
7-Chloro-2,3-dihydro-4-quinolone
CID 88974
2-Chloro-10-[3-(diethylamino)propyl]acridin-9-one
CID 11846392
2-Chloro-10-(3-pyrrolidin-1-ylpropyl)acridin-9-one
CID 11846395
2-Chloro-10-[4-(diethylamino)butyl]acridin-9-one
CID 11846398
2-Chloro-10-[4-(4-methylpiperazin-1-yl)butyl]acridin-9-one
CID 11846399
2-Chloro-10-(4-piperidin-1-ylbutyl)acridin-9-one
CID 11846557
10-[4-[Bis(2-hydroxyethyl)amino]butyl]-2-chloroacridin-9-one
CID 44446588
(3-chlorophenyl)(3,4-dihydroquinolin-1(2H)-yl)methanone
CID 722333
1-(4-Chlorophenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 727056
3-Chloro-10-methylacridin-9(10h)-one
CID 294452

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The IUPAC name of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde (CID 114843838) is 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde.
What is the SMILES notation for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The canonical SMILES for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is CC1CCc2ccccc2N1c1cc(Cl)ccc1C=O.
What is the InChIKey of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
The InChIKey is QOLQJRKTARJPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO/c1-12-6-7-13-4-2-3-5-16(13)19(12)17-10-15(18)9-8-14(17)11-20/h2-5,8-12H,6-7H2,1H3.
What are the key properties of 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde?
4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde has a molecular weight of 285.77 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)benzaldehyde is sourced from PubChem (CID 114843838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).