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'}

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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).