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

C15H15NO4 — CID 82247783

IUPAC1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C15H15NO4/c1-20-10-4-5-13-11(6-10)14(17)12(15(18)19)8-16(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyXYDHIKBMIVLJAG-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.12
Rot. Bonds4

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

1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid (PubChem CID 82247783) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
PubChem CID82247783
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC1CC1
InChIInChI=1S/C15H15NO4/c1-20-10-4-5-13-11(6-10)14(17)12(15(18)19)8-16(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,19)
InChIKeyXYDHIKBMIVLJAG-UHFFFAOYSA-N
XLogP2.12
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclopropylmethyl)-6-methoxyindole-3-carboxylic acid
CID 23073174
1-(cyclopropylmethyl)-6-methoxy-8-methyl-4-oxoquinoline-3-carboxylic acid
CID 82250070
4-oxo-1-(piperidin-4-ylmethyl)quinoline-3-carboxylic acid
CID 71734321
6-methoxy-3-(4-methoxybenzoyl)-1-[(4-methoxyphenyl)methyl]quinolin-4-one
CID 20864686
N-(diaminomethylidene)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide;hydrochloride
CID 45264362
1-(cyclopropylmethyl)-5-methoxy-3-[(1-methyl-3,6-dihydro-2H-pyridin-5-yl)methyl]indole
CID 18940861
1-(cyclopropylmethyl)-6,8-dimethyl-4-oxoquinoline-3-carboxylic acid
CID 82247569
1-(3,4-dimethoxyphenyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid
CID 139890801
ethyl 1-(cyclopropylmethyl)-6,7-difluoro-4-oxoquinoline-3-carboxylate
CID 783417
1-ethyl-6-methoxy-N-(2-methoxyethyl)-4-oxoquinoline-3-carboxamide
CID 30132802
1-(cyclopropylmethyl)-6-fluoroindole-3-carboxylic acid
CID 23073204
ethyl 6-iodo-1-[[(3R)-1-methylpiperidin-3-yl]methyl]-4-oxoquinoline-3-carboxylate
CID 59416158

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid (CID 82247783) is 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid is COc1ccc2c(c1)c(=O)c(C(=O)O)cn2CC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
The InChIKey is XYDHIKBMIVLJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-20-10-4-5-13-11(6-10)14(17)12(15(18)19)8-16(13)7-9-2-3-9/h4-6,8-9H,2-3,7H2,1H3,(H,18,19).
What are the key properties of 1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid?
1-(cyclopropylmethyl)-6-methoxy-4-oxoquinoline-3-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.12, 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-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 82247783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).