7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid

C15H14ClNO3 — CID 82250962

IUPAC7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CC3CC3)c12
InChIInChI=1S/C15H14ClNO3/c1-8-11(16)5-4-10-13(18)6-12(15(19)20)17(14(8)10)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,19,20)
InChIKeyMUGZFKBCUHZTFB-UHFFFAOYSA-N
MW291.73 g/mol
LogP3.07
Rot. Bonds3

About 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid

7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid (PubChem CID 82250962) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
PubChem CID82250962
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC Name7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
SMILESCc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CC3CC3)c12
InChIInChI=1S/C15H14ClNO3/c1-8-11(16)5-4-10-13(18)6-12(15(19)20)17(14(8)10)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,19,20)
InChIKeyMUGZFKBCUHZTFB-UHFFFAOYSA-N
XLogP3.07
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-1-(2-hydroxyethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82249284
1-(cyclopropylmethyl)-6,8-difluoro-4-oxoquinoline-2-carboxylic acid
CID 82248878
1-(cyclopropylmethyl)-7-methoxyindole-2-carboxylic acid
CID 146347451
1-(cyclopropylmethyl)-7-fluoroindole-2-carboxylic acid
CID 105492323
1-butyl-5-chloro-8-methyl-4-oxoquinoline-2-carboxylic acid
CID 82251202
5-chloro-1-(2-hydroxyethyl)-8-methoxy-4-oxoquinoline-2-carboxylic acid
CID 82251962
1-(cyclopropylmethyl)-7-oxo-5,6-dihydro-4H-indole-2-carboxylic acid
CID 162425690
2-[3-chloro-4-(cyclopropylmethoxy)-6-methyl-9-oxoacridin-10-yl]acetic acid
CID 138658249
7-chloro-1-(2,3-dihydroxypropyl)-4-oxoquinoline-2-carboxylic acid
CID 82251960
5-chloro-8-methyl-4-oxo-1-propan-2-ylquinoline-2-carboxylic acid
CID 82248933
1-[2,6-dichloro-7-methyl-1-(2-methylpropyl)indol-3-yl]ethanone
CID 82269459
2-(cyclopropylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 124926405

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The IUPAC name of 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid (CID 82250962) is 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid.
What is the SMILES notation for 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The canonical SMILES for 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid is Cc1c(Cl)ccc2c(=O)cc(C(=O)O)n(CC3CC3)c12.
What is the InChIKey of 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
The InChIKey is MUGZFKBCUHZTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c1-8-11(16)5-4-10-13(18)6-12(15(19)20)17(14(8)10)7-9-2-3-9/h4-6,9H,2-3,7H2,1H3,(H,19,20).
What are the key properties of 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid?
7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid has a molecular weight of 291.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-(cyclopropylmethyl)-8-methyl-4-oxoquinoline-2-carboxylic acid is sourced from PubChem (CID 82250962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).