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

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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).