2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde

C13H12ClNO3 — CID 84640028

IUPAC2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
SMILESCOc1cc(OC)c2c(C)c(C=O)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-7-9(6-16)13(14)15-10-4-8(17-2)5-11(18-3)12(7)10/h4-6H,1-3H3
InChIKeyYIISTPGCEUAMNA-UHFFFAOYSA-N
MW265.70 g/mol
LogP3.03
Rot. Bonds3

About 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde

2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde (PubChem CID 84640028) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
PubChem CID84640028
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde
SMILESCOc1cc(OC)c2c(C)c(C=O)c(Cl)nc2c1
InChIInChI=1S/C13H12ClNO3/c1-7-9(6-16)13(14)15-10-4-8(17-2)5-11(18-3)12(7)10/h4-6H,1-3H3
InChIKeyYIISTPGCEUAMNA-UHFFFAOYSA-N
XLogP3.03
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 53.03
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

2-chloro-7-methoxy-4-methylquinoline-3-carbaldehyde
CID 84628269
4-chloro-5,7-dimethoxy-2-methylquinoline
CID 43668663
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
5,7-dimethoxy-2-methylquinazolin-4-amine
CID 121232340
3-ethyl-5,7-dimethoxy-2-methylquinolin-4-amine
CID 62203590
4-chloro-5,7-dimethoxy-2-(3-methylthiophen-2-yl)quinazoline
CID 114591327
4-chloro-5,7-dimethoxy-2-phenylquinoline
CID 43668662
lithium 2-methanidyl-4,6-dimethoxybenzaldehyde
CID 10103889
5,7-dimethoxyquinoline-2,4-dicarboxylic acid
CID 11000344
6,8-dimethoxy-2-methyl-1-oxoisoquinoline-3-carbaldehyde
CID 820649
(2-formyl-3,5-dimethoxyphenyl)boronic acid
CID 74890628

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde (CID 84640028) is 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde is COc1cc(OC)c2c(C)c(C=O)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde?
The InChIKey is YIISTPGCEUAMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-7-9(6-16)13(14)15-10-4-8(17-2)5-11(18-3)12(7)10/h4-6H,1-3H3.
What are the key properties of 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde?
2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde has a molecular weight of 265.70 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,7-dimethoxy-4-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 84640028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).