7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one

C23H29FN2O2 — CID 66636817

IUPAC7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one
SMILESCO/C=C/c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C23H29FN2O2/c1-28-12-11-16-15-26(18-9-5-6-10-18)22-14-21(20(24)13-19(22)23(16)27)25-17-7-3-2-4-8-17/h11-15,17-18,25H,2-10H2,1H3/b12-11+
InChIKeyNGCGSZZNTASSNN-VAWYXSNFSA-N
MW384.50 g/mol
LogP5.62
Rot. Bonds5

About 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one

7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one (PubChem CID 66636817) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one.

Molecular Properties

Compound Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one
PubChem CID66636817
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one
SMILESCO/C=C/c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O
InChIInChI=1S/C23H29FN2O2/c1-28-12-11-16-15-26(18-9-5-6-10-18)22-14-21(20(24)13-19(22)23(16)27)25-17-7-3-2-4-8-17/h11-15,17-18,25H,2-10H2,1H3/b12-11+
InChIKeyNGCGSZZNTASSNN-VAWYXSNFSA-N
XLogP5.62
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.50
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one?
The IUPAC name of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one (CID 66636817) is 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one.
What is the SMILES notation for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one?
The canonical SMILES for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one is CO/C=C/c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O.
What is the InChIKey of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one?
The InChIKey is NGCGSZZNTASSNN-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-12-11-16-15-26(18-9-5-6-10-18)22-14-21(20(24)13-19(22)23(16)27)25-17-7-3-2-4-8-17/h11-15,17-18,25H,2-10H2,1H3/b12-11+.
What are the key properties of 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one?
7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one has a molecular weight of 384.50 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexylamino)-1-cyclopentyl-6-fluoro-3-[(E)-2-methoxyethenyl]quinolin-4-one is sourced from PubChem (CID 66636817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).