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

C12H10ClNO3 — CID 174859471

IUPAC4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2c(Cl)c(C=O)c(OC)nc2c1
InChIInChI=1S/C12H10ClNO3/c1-16-7-3-4-8-10(5-7)14-12(17-2)9(6-15)11(8)13/h3-6H,1-2H3
InChIKeyBUXVIZMOQYWHNA-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.72
Rot. Bonds3

About 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde

4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde (PubChem CID 174859471) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde.

Molecular Properties

Compound Name4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
PubChem CID174859471
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde
SMILESCOc1ccc2c(Cl)c(C=O)c(OC)nc2c1
InChIInChI=1S/C12H10ClNO3/c1-16-7-3-4-8-10(5-7)14-12(17-2)9(6-15)11(8)13/h3-6H,1-2H3
InChIKeyBUXVIZMOQYWHNA-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': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
2,4,6-trimethoxyquinoline-3-carbaldehyde
CID 3441994
7-methoxy-2-methylquinazoline-4-carbaldehyde
CID 105454201
3,4-difluoro-2,7-dimethoxyquinoline
CID 90118253
4-chloro-2-ethyl-7-methoxyquinoline-3-carboxylic acid
CID 53401269
ethyl 2-bromo-4-chloro-7-methoxyquinoline-3-carboxylate
CID 139213813
7-methoxyquinazoline-4-carbaldehyde
CID 105442986
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354
N-(3,7-dimethoxyquinoxalin-2-yl)formamide
CID 91284157
2-chloro-7-methoxy-4-(4-methoxyphenyl)quinoline
CID 139231038
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236
6-methoxy-1H-indole-2,3-dicarbaldehyde
CID 89262984

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde?
The IUPAC name of 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde (CID 174859471) is 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde.
What is the SMILES notation for 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde?
The canonical SMILES for 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde is COc1ccc2c(Cl)c(C=O)c(OC)nc2c1.
What is the InChIKey of 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde?
The InChIKey is BUXVIZMOQYWHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-16-7-3-4-8-10(5-7)14-12(17-2)9(6-15)11(8)13/h3-6H,1-2H3.
What are the key properties of 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde?
4-chloro-2,7-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 4-chloro-2,7-dimethoxyquinoline-3-carbaldehyde is sourced from PubChem (CID 174859471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).