1,7-dimethyl-2H-quinoline-2-carbaldehyde

C12H13NO — CID 174304861

IUPAC1,7-dimethyl-2H-quinoline-2-carbaldehyde
SMILESCc1ccc2c(c1)N(C)C(C=O)C=C2
InChIInChI=1S/C12H13NO/c1-9-3-4-10-5-6-11(8-14)13(2)12(10)7-9/h3-8,11H,1-2H3
InChIKeyATJDRGBHSOSBSJ-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.03
Rot. Bonds1

About 1,7-dimethyl-2H-quinoline-2-carbaldehyde

1,7-dimethyl-2H-quinoline-2-carbaldehyde (PubChem CID 174304861) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 1,7-dimethyl-2H-quinoline-2-carbaldehyde.

Molecular Properties

Compound Name1,7-dimethyl-2H-quinoline-2-carbaldehyde
PubChem CID174304861
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name1,7-dimethyl-2H-quinoline-2-carbaldehyde
SMILESCc1ccc2c(c1)N(C)C(C=O)C=C2
InChIInChI=1S/C12H13NO/c1-9-3-4-10-5-6-11(8-14)13(2)12(10)7-9/h3-8,11H,1-2H3
InChIKeyATJDRGBHSOSBSJ-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-2H-quinoline-2-carbaldehyde?
The IUPAC name of 1,7-dimethyl-2H-quinoline-2-carbaldehyde (CID 174304861) is 1,7-dimethyl-2H-quinoline-2-carbaldehyde.
What is the SMILES notation for 1,7-dimethyl-2H-quinoline-2-carbaldehyde?
The canonical SMILES for 1,7-dimethyl-2H-quinoline-2-carbaldehyde is Cc1ccc2c(c1)N(C)C(C=O)C=C2.
What is the InChIKey of 1,7-dimethyl-2H-quinoline-2-carbaldehyde?
The InChIKey is ATJDRGBHSOSBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9-3-4-10-5-6-11(8-14)13(2)12(10)7-9/h3-8,11H,1-2H3.
What are the key properties of 1,7-dimethyl-2H-quinoline-2-carbaldehyde?
1,7-dimethyl-2H-quinoline-2-carbaldehyde has a molecular weight of 187.24 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-2H-quinoline-2-carbaldehyde is sourced from PubChem (CID 174304861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).