N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C27H31FN4O4 — CID 166831371

IUPACN-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C27H31FN4O4/c28-20-8-6-18(7-9-20)19-16-22-24(33)23(26(34)30-21-4-2-1-3-5-21)27(35)32(25(22)29-17-19)11-10-31-12-14-36-15-13-31/h6-9,16-17,21,33H,1-5,10-15H2,(H,30,34)
InChIKeyPBCJJKAJXDINGA-UHFFFAOYSA-N
MW494.57 g/mol
LogP3.30
Rot. Bonds6

About N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831371) has the molecular formula C27H31FN4O4 and a molecular weight of 494.57 g/mol. Its IUPAC name is N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831371
Molecular FormulaC27H31FN4O4
Molecular Weight494.57 g/mol
Exact Mass494.23
IUPAC NameN-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C27H31FN4O4/c28-20-8-6-18(7-9-20)19-16-22-24(33)23(26(34)30-21-4-2-1-3-5-21)27(35)32(25(22)29-17-19)11-10-31-12-14-36-15-13-31/h6-9,16-17,21,33H,1-5,10-15H2,(H,30,34)
InChIKeyPBCJJKAJXDINGA-UHFFFAOYSA-N
XLogP3.30
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.57
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-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

CID 118735890
CID 118735890
CID 156613431
CID 156613431
CID 118719607
CID 118719607
CID 54697548
CID 54697548
CID 54716309
CID 54716309
CID 59699565
CID 59699565
CID 60145524
CID 60145524
CID 60145526
CID 60145526
CID 117706868
CID 117706868
CID 118735891
CID 118735891
CID 101882737
CID 101882737
CID 117697419
CID 117697419

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831371) is N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is O=C(NC1CCCCC1)c1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is PBCJJKAJXDINGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN4O4/c28-20-8-6-18(7-9-20)19-16-22-24(33)23(26(34)30-21-4-2-1-3-5-21)27(35)32(25(22)29-17-19)11-10-31-12-14-36-15-13-31/h6-9,16-17,21,33H,1-5,10-15H2,(H,30,34).
What are the key properties of N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 494.57 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).