7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde

C15H17ClN2O — CID 20983137

IUPAC7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde
SMILESCCN(CC)c1nc2c(C)c(Cl)ccc2cc1C=O
InChIInChI=1S/C15H17ClN2O/c1-4-18(5-2)15-12(9-19)8-11-6-7-13(16)10(3)14(11)17-15/h6-9H,4-5H2,1-3H3
InChIKeyOYEOGEXCIZRNHP-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.86
Rot. Bonds4

About 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde

7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde (PubChem CID 20983137) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde
PubChem CID20983137
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde
SMILESCCN(CC)c1nc2c(C)c(Cl)ccc2cc1C=O
InChIInChI=1S/C15H17ClN2O/c1-4-18(5-2)15-12(9-19)8-11-6-7-13(16)10(3)14(11)17-15/h6-9H,4-5H2,1-3H3
InChIKeyOYEOGEXCIZRNHP-UHFFFAOYSA-N
XLogP3.86
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diethylamino)-5,8-dimethylquinoline-3-carbaldehyde
CID 26368558
7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983139
2-chloro-7,8-dimethylquinoline-3-carbaldehyde
CID 788652
diethyl 7-chloro-8-methylquinoline-2,3-dicarboxylate
CID 17040030
5-chloro-2,8-dimethylquinoline-4-carbaldehyde
CID 82573852
3-(diethylamino)-2-methylbenzaldehyde
CID 88960180
6-chloro-2-methylquinoline-8-carbaldehyde
CID 82573777
2,7-dichloro-N-ethyl-N,8-dimethylquinazolin-4-amine
CID 114693444
2-(7-chloro-3,8-dimethylquinolin-2-yl)-N-methylethanamine
CID 82244741
7-(diethylamino)-8-methyl-2-oxochromene-3-carbaldehyde;pyridine;hydrochloride
CID 173448674
7,8-dichloro-2-methylquinoline-4-carbaldehyde
CID 82449304
2,8-dichloro-9-methylpyrimido[4,5-b]quinoline
CID 84639415

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde?
The IUPAC name of 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde (CID 20983137) is 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde?
The canonical SMILES for 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde is CCN(CC)c1nc2c(C)c(Cl)ccc2cc1C=O.
What is the InChIKey of 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde?
The InChIKey is OYEOGEXCIZRNHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c1-4-18(5-2)15-12(9-19)8-11-6-7-13(16)10(3)14(11)17-15/h6-9H,4-5H2,1-3H3.
What are the key properties of 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde?
7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde has a molecular weight of 276.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(diethylamino)-8-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 20983137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).