1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid

C16H17NO4 — CID 82250070

IUPAC1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCOc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C16H17NO4/c1-9-5-11(21-2)6-12-14(9)17(7-10-3-4-10)8-13(15(12)18)16(19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyUVNGYNDZHVBYRV-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.43
Rot. Bonds4

About 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid

1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 82250070) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
PubChem CID82250070
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
SMILESCOc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C16H17NO4/c1-9-5-11(21-2)6-12-14(9)17(7-10-3-4-10)8-13(15(12)18)16(19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyUVNGYNDZHVBYRV-UHFFFAOYSA-N
XLogP2.43
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 82247569
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
ethyl 7-methoxy-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
CID 163911801
ethyl 7-methoxy-4-oxo-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-2,5(16),6,8-tetraene-3-carboxylate
CID 20567393
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
ethyl 15-methoxy-12-oxo-9-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,10,13(17),14-heptaene-11-carboxylate
CID 138970460
5-bromo-6-ethoxycarbonyl-1-(oxan-4-ylmethyl)-4-oxopyridine-3-carboxylic acid
CID 142563819
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82244448
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 155688328

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid (CID 82250070) is 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid is COc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is UVNGYNDZHVBYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-9-5-11(21-2)6-12-14(9)17(7-10-3-4-10)8-13(15(12)18)16(19)20/h5-6,8,10H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid?
1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82250070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).