2-chloro-7-methylquinoline-3-carbaldehyde

C11H8ClNO — CID 776184

IUPAC2-chloro-7-methylquinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C11H8ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-6H,1H3
InChIKeyYBNADSVXXWMWKH-UHFFFAOYSA-N
MW205.64 g/mol
LogP3.01
Rot. Bonds1

About 2-chloro-7-methylquinoline-3-carbaldehyde

2-chloro-7-methylquinoline-3-carbaldehyde (PubChem CID 776184) has the molecular formula C11H8ClNO and a molecular weight of 205.64 g/mol. Its IUPAC name is 2-chloro-7-methylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-7-methylquinoline-3-carbaldehyde
PubChem CID776184
Molecular FormulaC11H8ClNO
Molecular Weight205.64 g/mol
Exact Mass205.03
IUPAC Name2-chloro-7-methylquinoline-3-carbaldehyde
SMILESCc1ccc2cc(C=O)c(Cl)nc2c1
InChIInChI=1S/C11H8ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-6H,1H3
InChIKeyYBNADSVXXWMWKH-UHFFFAOYSA-N
XLogP3.01
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.64
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-methylquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-7-methylquinoline-3-carbaldehyde (CID 776184) is 2-chloro-7-methylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-7-methylquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-7-methylquinoline-3-carbaldehyde is Cc1ccc2cc(C=O)c(Cl)nc2c1.
What is the InChIKey of 2-chloro-7-methylquinoline-3-carbaldehyde?
The InChIKey is YBNADSVXXWMWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO/c1-7-2-3-8-5-9(6-14)11(12)13-10(8)4-7/h2-6H,1H3.
What are the key properties of 2-chloro-7-methylquinoline-3-carbaldehyde?
2-chloro-7-methylquinoline-3-carbaldehyde has a molecular weight of 205.64 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-methylquinoline-3-carbaldehyde is sourced from PubChem (CID 776184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).