N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide

C14H12N2O5 — CID 20977871

IUPACN-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(C)=O)c(C=O)c(=O)c12
InChIInChI=1S/C14H12N2O5/c1-7(18)15-14(20)12-8(6-17)13(19)11-9(16-12)4-3-5-10(11)21-2/h3-6H,1-2H3,(H,16,19)(H,15,18,20)
InChIKeyGNHUNXDOXCSPIK-UHFFFAOYSA-N
MW288.26 g/mol
LogP0.63
Rot. Bonds3

About N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide

N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide (PubChem CID 20977871) has the molecular formula C14H12N2O5 and a molecular weight of 288.26 g/mol. Its IUPAC name is N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide.

Molecular Properties

Compound NameN-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide
PubChem CID20977871
Molecular FormulaC14H12N2O5
Molecular Weight288.26 g/mol
Exact Mass288.07
IUPAC NameN-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide
SMILESCOc1cccc2[nH]c(C(=O)NC(C)=O)c(C=O)c(=O)c12
InChIInChI=1S/C14H12N2O5/c1-7(18)15-14(20)12-8(6-17)13(19)11-9(16-12)4-3-5-10(11)21-2/h3-6H,1-2H3,(H,16,19)(H,15,18,20)
InChIKeyGNHUNXDOXCSPIK-UHFFFAOYSA-N
XLogP0.63
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.26
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethyl 3-formyl-4-methoxy-1H-indole-2-carboxylate
CID 154727990
5-methoxy-2,3-dimethyl-1H-quinolin-4-one
CID 119083522
3-acetyl-5-methoxy-2-methylsulfanyl-1H-quinolin-4-one
CID 164884874
bis(4-methoxy-2-methyl-1H-indol-3-yl)methanone
CID 143294111
(E)-3-(4-methoxy-2-methyl-1H-indol-3-yl)but-2-enoic acid
CID 82279144
5-methoxy-4-oxo-2-phenyl-1H-quinoline-3-carboxylic acid
CID 91555555
5-methoxy-3-(2-oxopropyl)-1H-quinazoline-2,4-dione
CID 117262084
4-hydroxy-5-methoxy-1H-quinolin-2-one
CID 54718133
4-methoxy-3-(trifluoromethyl)-1H-indole-2-carboxamide
CID 175836718
1-(4-methoxy-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82279193
methyl 2-(5-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 54542343
4-hydroxy-5-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 68862785

Frequently Asked Questions

What is the IUPAC name of N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide?
The IUPAC name of N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide (CID 20977871) is N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide.
What is the SMILES notation for N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide?
The canonical SMILES for N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide is COc1cccc2[nH]c(C(=O)NC(C)=O)c(C=O)c(=O)c12.
What is the InChIKey of N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide?
The InChIKey is GNHUNXDOXCSPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O5/c1-7(18)15-14(20)12-8(6-17)13(19)11-9(16-12)4-3-5-10(11)21-2/h3-6H,1-2H3,(H,16,19)(H,15,18,20).
What are the key properties of N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide?
N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide has a molecular weight of 288.26 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-3-formyl-5-methoxy-4-oxo-1H-quinoline-2-carboxamide is sourced from PubChem (CID 20977871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).