1-methyl-2-oxoquinoline-3-carbaldehyde

C11H9NO2 — CID 4914628

IUPAC1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCn1c(=O)c(C=O)cc2ccccc21
InChIInChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3
InChIKeyAWJCCKYFFMSHCJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.35
Rot. Bonds1

About 1-methyl-2-oxoquinoline-3-carbaldehyde

1-methyl-2-oxoquinoline-3-carbaldehyde (PubChem CID 4914628) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-methyl-2-oxoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-methyl-2-oxoquinoline-3-carbaldehyde
PubChem CID4914628
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name1-methyl-2-oxoquinoline-3-carbaldehyde
SMILESCn1c(=O)c(C=O)cc2ccccc21
InChIInChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3
InChIKeyAWJCCKYFFMSHCJ-UHFFFAOYSA-N
XLogP1.35
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Crotamiton
CID 2883
N-Ethyl-o-crotonotoluidide
CID 688020
1-Methyl-2-quinolone
CID 11820
4-(Dimethylamino)cinnamaldehyde
CID 5284506
N-2-Tolylmaleimide
CID 19989
1,4-Dimethyl-2-quinolone
CID 97252
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
6-Amino-1,3-dimethyl-1,2-dihydroquinolin-2-one
CID 83636605
N-(2-Ethylphenyl)maleimide
CID 704937
2-Hydroxyquinoline-3-carbaldehyde
CID 589334
3-methylquinolin-2(1H)-one
CID 440987
3-hydroxy-1-methylquinolin-2(1H)-one
CID 15187160

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxoquinoline-3-carbaldehyde?
The IUPAC name of 1-methyl-2-oxoquinoline-3-carbaldehyde (CID 4914628) is 1-methyl-2-oxoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-methyl-2-oxoquinoline-3-carbaldehyde?
The canonical SMILES for 1-methyl-2-oxoquinoline-3-carbaldehyde is Cn1c(=O)c(C=O)cc2ccccc21.
What is the InChIKey of 1-methyl-2-oxoquinoline-3-carbaldehyde?
The InChIKey is AWJCCKYFFMSHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c1-12-10-5-3-2-4-8(10)6-9(7-13)11(12)14/h2-7H,1H3.
What are the key properties of 1-methyl-2-oxoquinoline-3-carbaldehyde?
1-methyl-2-oxoquinoline-3-carbaldehyde has a molecular weight of 187.20 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-oxoquinoline-3-carbaldehyde is sourced from PubChem (CID 4914628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).