N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

C19H21FN2O2 — CID 30133148

IUPACN-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H21FN2O2/c1-22-12-16(18(23)15-11-14(20)7-8-17(15)22)19(24)21-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24)
InChIKeyGGSBQXBBUOWXHY-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.30
Rot. Bonds4

About N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide

N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 30133148) has the molecular formula C19H21FN2O2 and a molecular weight of 328.39 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID30133148
Molecular FormulaC19H21FN2O2
Molecular Weight328.39 g/mol
Exact Mass328.16
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(F)ccc21
InChIInChI=1S/C19H21FN2O2/c1-22-12-16(18(23)15-11-14(20)7-8-17(15)22)19(24)21-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24)
InChIKeyGGSBQXBBUOWXHY-UHFFFAOYSA-N
XLogP3.30
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859102
6-fluoro-N-(2-methoxyethyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133154
2-amino-N-[2-(cyclohexen-1-yl)ethyl]-4-fluorobenzamide
CID 62072440
6-(azepan-1-ylsulfonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-ethyl-4-oxoquinoline-3-carboxamide
CID 20859308
N-[2-(cyclohexen-1-yl)ethyl]-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 27666383
1-acetyl-5-chloro-N-[2-(cyclohexen-1-yl)ethyl]indole-3-carboxamide
CID 113212529
1-methyl-N-[2-(4-methylphenyl)ethyl]-4-oxo-6-pyrrolidin-1-ylsulfonylquinoline-3-carboxamide
CID 20859099
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-4-hydroxybenzamide
CID 103939869
N-[2-(cyclohexen-1-yl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766470
(2R)-6-bromo-N-[2-(cyclohexen-1-yl)ethyl]-2-methyl-9-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,10-tetraene-10-carboxamide
CID 92878947
N-[2-(cyclohexen-1-yl)ethyl]-2-(6-fluoro-2,3-dioxo-4H-quinoxalin-1-yl)acetamide
CID 113195721
N-[2-(cyclohexen-1-yl)ethyl]-1-methyl-4-pyridin-4-ylpyrrole-2-carboxamide
CID 53159732

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide (CID 30133148) is N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)NCCC2=CCCCC2)c(=O)c2cc(F)ccc21.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is GGSBQXBBUOWXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2/c1-22-12-16(18(23)15-11-14(20)7-8-17(15)22)19(24)21-10-9-13-5-3-2-4-6-13/h5,7-8,11-12H,2-4,6,9-10H2,1H3,(H,21,24).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide?
N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-6-fluoro-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 30133148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).