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

C12H10ClNO — CID 788657

IUPAC2-chloro-6,7-dimethylquinoline-3-carbaldehyde
SMILESCc1cc2cc(C=O)c(Cl)nc2cc1C
InChIInChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3
InChIKeyMRKMNOLGKUJUSJ-UHFFFAOYSA-N
MW219.67 g/mol
LogP3.32
Rot. Bonds1

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

2-chloro-6,7-dimethylquinoline-3-carbaldehyde (PubChem CID 788657) has the molecular formula C12H10ClNO and a molecular weight of 219.67 g/mol. Its IUPAC name is 2-chloro-6,7-dimethylquinoline-3-carbaldehyde.

Molecular Properties

Compound Name2-chloro-6,7-dimethylquinoline-3-carbaldehyde
PubChem CID788657
Molecular FormulaC12H10ClNO
Molecular Weight219.67 g/mol
Exact Mass219.05
IUPAC Name2-chloro-6,7-dimethylquinoline-3-carbaldehyde
SMILESCc1cc2cc(C=O)c(Cl)nc2cc1C
InChIInChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3
InChIKeyMRKMNOLGKUJUSJ-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 53.32
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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Related Compounds

2-Chloro-5,7-dimethylquinoline-3-carboxaldehyde
CID 818677
2-Chloro-7-methylquinoline-3-carbaldehyde
CID 776184
1-Acetyl-2-chloro-naphtho[1,2,3-de]quinolin-7-one
CID 761589
2-Chloro-6-methylquinoline-3-carboxaldehyde
CID 689081
2-Chloro-8-methylquinoline-3-carboxaldehyde
CID 689082
2-Chloro-3-quinolinecarboxaldehyde
CID 690958
2,6-Dichloroquinoline-3-carboxaldehyde
CID 4738515
2-Chloro-5,8-dimethylquinoline-3-carboxaldehyde
CID 788656
2-Methylquinoline-6-carboxaldehyde
CID 7537486
2-Chloro-7-fluoroquinoline-3-carbaldehyde
CID 12099179
2-Chloro-3-acetylquinoline
CID 13301747
(E)-3-(2-chloro-6-methylquinolin-3-yl)-1-phenylprop-2-en-1-one
CID 5766222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6,7-dimethylquinoline-3-carbaldehyde?
The IUPAC name of 2-chloro-6,7-dimethylquinoline-3-carbaldehyde (CID 788657) is 2-chloro-6,7-dimethylquinoline-3-carbaldehyde.
What is the SMILES notation for 2-chloro-6,7-dimethylquinoline-3-carbaldehyde?
The canonical SMILES for 2-chloro-6,7-dimethylquinoline-3-carbaldehyde is Cc1cc2cc(C=O)c(Cl)nc2cc1C.
What is the InChIKey of 2-chloro-6,7-dimethylquinoline-3-carbaldehyde?
The InChIKey is MRKMNOLGKUJUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO/c1-7-3-9-5-10(6-15)12(13)14-11(9)4-8(7)2/h3-6H,1-2H3.
What are the key properties of 2-chloro-6,7-dimethylquinoline-3-carbaldehyde?
2-chloro-6,7-dimethylquinoline-3-carbaldehyde has a molecular weight of 219.67 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6,7-dimethylquinoline-3-carbaldehyde is sourced from PubChem (CID 788657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).