1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid

C18H19NO3 — CID 19081655

IUPAC1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
SMILESC=Cc1ccc2c(=O)c(C(=O)O)cn(C3CCCCC3)c2c1
InChIInChI=1S/C18H19NO3/c1-2-12-8-9-14-16(10-12)19(13-6-4-3-5-7-13)11-15(17(14)20)18(21)22/h2,8-11,13H,1,3-7H2,(H,21,22)
InChIKeyMVVNIPVONKXPEM-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.85
Rot. Bonds3

About 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid

1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid (PubChem CID 19081655) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
PubChem CID19081655
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid
SMILESC=Cc1ccc2c(=O)c(C(=O)O)cn(C3CCCCC3)c2c1
InChIInChI=1S/C18H19NO3/c1-2-12-8-9-14-16(10-12)19(13-6-4-3-5-7-13)11-15(17(14)20)18(21)22/h2,8-11,13H,1,3-7H2,(H,21,22)
InChIKeyMVVNIPVONKXPEM-UHFFFAOYSA-N
XLogP3.85
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 82248137
6,7-dichloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 13385164
6-chloro-1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
CID 22277610
1-cyclobutyl-7-(cyclobutylamino)-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 3009588
1-cyclohexylpiperazine;7-(4-cyclohexylpiperazin-1-yl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
CID 70353590
7-amino-6-chloro-1-cyclopropyl-4-oxoquinoline-3-carboxylic acid
CID 70462339
5-amino-1-cyclopentyl-4-oxoquinoline-3-carboxylic acid
CID 82212870
1-cyclopentyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid
CID 82251132
ethyl 1-cyclopentyl-7-iodo-4-oxoquinoline-3-carboxylate
CID 19081667
1-cyclopropyl-6-[(E)-3-(2-hydroxyethoxy)prop-1-enyl]-4-oxoquinoline-3-carboxylic acid
CID 59864145
1-cyclopropyl-7-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-4-oxoquinoline-3-carboxylic acid
CID 22509420
1-cyclopropyl-6-fluoro-7-(4-iodopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
CID 129154415

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid?
The IUPAC name of 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid (CID 19081655) is 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid is C=Cc1ccc2c(=O)c(C(=O)O)cn(C3CCCCC3)c2c1.
What is the InChIKey of 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid?
The InChIKey is MVVNIPVONKXPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-12-8-9-14-16(10-12)19(13-6-4-3-5-7-13)11-15(17(14)20)18(21)22/h2,8-11,13H,1,3-7H2,(H,21,22).
What are the key properties of 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid?
1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-7-ethenyl-4-oxoquinoline-3-carboxylic acid is sourced from PubChem (CID 19081655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).