1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid

C16H17NO3 — CID 82247569

IUPAC1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C16H17NO3/c1-9-5-10(2)14-12(6-9)15(18)13(16(19)20)8-17(14)7-11-3-4-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyMDBAPIIWQYEXDW-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds3

About 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid

1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 82247569) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
PubChem CID82247569
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
SMILESCc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C16H17NO3/c1-9-5-10(2)14-12(6-9)15(18)13(16(19)20)8-17(14)7-11-3-4-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20)
InChIKeyMDBAPIIWQYEXDW-UHFFFAOYSA-N
XLogP2.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82250070
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetic acid
CID 66487510
8-bromo-6-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 66487817
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
methyl 2-(3,6,8-trimethyl-4-oxoquinolin-1-yl)acetate
CID 66487519
ethane;ethyl 7-methyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxylate
CID 143325328
1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
8-methyl-4-oxo-1-propylquinoline-3-carboxylic acid
CID 53269520
1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridine-3-carboxylic acid
CID 155688328

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid (CID 82247569) is 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid is Cc1cc(C)c2c(c1)c(=O)c(C(=O)O)cn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MDBAPIIWQYEXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-9-5-10(2)14-12(6-9)15(18)13(16(19)20)8-17(14)7-11-3-4-11/h5-6,8,11H,3-4,7H2,1-2H3,(H,19,20).
What are the key properties of 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid?
1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82247569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).