1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid

C15H15NO4 — CID 82247794

IUPAC1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C)c(C(=O)O)n2C1CC1
InChIInChI=1S/C15H15NO4/c1-8-13(15(18)19)16(9-3-4-9)12-6-5-10(20-2)7-11(12)14(8)17/h5-7,9H,3-4H2,1-2H3,(H,18,19)
InChIKeyBVTMJQOLJNKHJQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.35
Rot. Bonds3

About 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid

1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82247794) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82247794
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C)c(C(=O)O)n2C1CC1
InChIInChI=1S/C15H15NO4/c1-8-13(15(18)19)16(9-3-4-9)12-6-5-10(20-2)7-11(12)14(8)17/h5-7,9H,3-4H2,1-2H3,(H,18,19)
InChIKeyBVTMJQOLJNKHJQ-UHFFFAOYSA-N
XLogP2.35
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82246138
1-cyclopropyl-5-hydroxy-3-methylindole-2-carboxylic acid
CID 115038140
1-cyclopentyl-7-fluoro-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82250430
2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
1-cyclohexyl-5-methoxy-2-methylindole-3-carboxylate
CID 6954360
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796
3-oxobutan-2-yl 1-cyclopropyl-5-methoxy-2-methylindole-3-carboxylate
CID 18281159
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 82247783
1-cyclopropyl-5-methoxy-2-methyl-N-(5-methylhexan-2-yl)indole-3-carboxamide
CID 17429408
4-(6-methoxy-3-methyl-1-oxoisoquinolin-2-yl)cyclohexane-1-carboxylic acid
CID 71089801
3-fluoro-5-methoxy-1-methylindole-2-carboxylic acid
CID 83853725
5-chloro-1-cyclopropyl-3,8-dimethyl-4-oxoquinoline-2-carboxylic acid
CID 82250951

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid (CID 82247794) is 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid is COc1ccc2c(c1)c(=O)c(C)c(C(=O)O)n2C1CC1.
What is the InChIKey of 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is BVTMJQOLJNKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-8-13(15(18)19)16(9-3-4-9)12-6-5-10(20-2)7-11(12)14(8)17/h5-7,9H,3-4H2,1-2H3,(H,18,19).
What are the key properties of 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid?
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82247794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).