2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde

C12H10ClNO3 — CID 818619

IUPAC2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1cc2cc(C=O)c(Cl)nc2cc1OC
InChIInChI=1S/C12H10ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-6H,1-2H3
InChIKeyCCJKLPYJNAHFIE-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.72
Rot. Bonds3

About 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde

2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde (PubChem CID 818619) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde
PubChem CID818619
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1cc2cc(C=O)c(Cl)nc2cc1OC
InChIInChI=1S/C12H10ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-6H,1-2H3
InChIKeyCCJKLPYJNAHFIE-UHFFFAOYSA-N
XLogP2.72
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
Ethyl 6-methoxy-2-methylquinoline-3-carboxylate
CID 618636
7-Chloro-2,3-dihydro-[1,4]dioxino[2,3-g]quinoline-8-carbaldehyde
CID 2771949
2-Chloro-6-methoxyquinoline-3-carbaldehyde
CID 689079
4-[(2,4-Dichlorophenyl)amino]-6,7-dimethoxyquinoline-3-carbaldehyde
CID 5328893
2-Chloro-6,7-dimethoxy-3-phenylquinoline
CID 2794462
2-Amino-6,7-dimethoxyquinoline-3-carboxamide
CID 781584
4-(3-Chlorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170205
2,7-Dimethoxyquinoline-3-carbaldehyde
CID 3159668
2-Chloro-7-ethoxyquinoline-3-carbaldehyde
CID 767416
Acequinoline
CID 170370
(E)-3-(2-chloroquinolin-3-yl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one
CID 10522036

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde (CID 818619) is 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde is COc1cc2cc(C=O)c(Cl)nc2cc1OC.
What is the InChIKey of 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde?
The InChIKey is CCJKLPYJNAHFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-10-4-7-3-8(6-15)12(13)14-9(7)5-11(10)17-2/h3-6H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde?
2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde has a molecular weight of 251.67 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 818619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).