(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide

C21H28FN3O3 — CID 155433543

IUPAC(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide
SMILESO=C1CC[C@@](F)(C(=O)NCC2(N3CCOCC3)CCCCC2)c2cccnc21
InChIInChI=1S/C21H28FN3O3/c22-21(9-6-17(26)18-16(21)5-4-10-23-18)19(27)24-15-20(7-2-1-3-8-20)25-11-13-28-14-12-25/h4-5,10H,1-3,6-9,11-15H2,(H,24,27)/t21-/m0/s1
InChIKeyNFJNOCSDGXOTPR-NRFANRHFSA-N
MW389.47 g/mol
LogP2.37
Rot. Bonds4

About (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide

(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide (PubChem CID 155433543) has the molecular formula C21H28FN3O3 and a molecular weight of 389.47 g/mol. Its IUPAC name is (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide.

Molecular Properties

Compound Name(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide
PubChem CID155433543
Molecular FormulaC21H28FN3O3
Molecular Weight389.47 g/mol
Exact Mass389.21
IUPAC Name(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide
SMILESO=C1CC[C@@](F)(C(=O)NCC2(N3CCOCC3)CCCCC2)c2cccnc21
InChIInChI=1S/C21H28FN3O3/c22-21(9-6-17(26)18-16(21)5-4-10-23-18)19(27)24-15-20(7-2-1-3-8-20)25-11-13-28-14-12-25/h4-5,10H,1-3,6-9,11-15H2,(H,24,27)/t21-/m0/s1
InChIKeyNFJNOCSDGXOTPR-NRFANRHFSA-N
XLogP2.37
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S,8R)-8-ethyl-5-fluoro-8-hydroxy-N-[(1-morpholin-4-ylcyclohexyl)methyl]-6,7-dihydroquinoline-5-carboxamide
CID 155453984
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
N-[(1-morpholin-4-ylcyclohexyl)methyl]-3-phenylpropanamide
CID 18150652
(2R)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-pyridin-3-ylpiperidine-1-carboxamide
CID 126423361
2-(4-fluorobenzoyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 39430130
1-cyclopentyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 38156413
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-[(1-morpholin-4-ylcyclohexyl)methyl]guanidine
CID 111787793
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
5-(methoxymethyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 78827478

Frequently Asked Questions

What is the IUPAC name of (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The IUPAC name of (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide (CID 155433543) is (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide.
What is the SMILES notation for (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The canonical SMILES for (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide is O=C1CC[C@@](F)(C(=O)NCC2(N3CCOCC3)CCCCC2)c2cccnc21.
What is the InChIKey of (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide?
The InChIKey is NFJNOCSDGXOTPR-NRFANRHFSA-N. The full InChI is InChI=1S/C21H28FN3O3/c22-21(9-6-17(26)18-16(21)5-4-10-23-18)19(27)24-15-20(7-2-1-3-8-20)25-11-13-28-14-12-25/h4-5,10H,1-3,6-9,11-15H2,(H,24,27)/t21-/m0/s1.
What are the key properties of (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide?
(5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide has a molecular weight of 389.47 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]-8-oxo-6,7-dihydroquinoline-5-carboxamide is sourced from PubChem (CID 155433543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).