N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide

C27H29FN4O4 — CID 167499582

IUPACN-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)NC12CC(C1)C2
InChIInChI=1S/C27H29FN4O4/c28-20-3-1-18(2-4-20)19-11-21-24(34)22(12-23(33)30-27-13-17(14-27)15-27)26(35)32(25(21)29-16-19)6-5-31-7-9-36-10-8-31/h1-4,11,16-17,34H,5-10,12-15H2,(H,30,33)
InChIKeyIDOWTBUXZLRUAX-UHFFFAOYSA-N
MW492.55 g/mol
LogP2.45
Rot. Bonds7

About N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide

N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide (PubChem CID 167499582) has the molecular formula C27H29FN4O4 and a molecular weight of 492.55 g/mol. Its IUPAC name is N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide
PubChem CID167499582
Molecular FormulaC27H29FN4O4
Molecular Weight492.55 g/mol
Exact Mass492.22
IUPAC NameN-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide
SMILESO=C(Cc1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)NC12CC(C1)C2
InChIInChI=1S/C27H29FN4O4/c28-20-3-1-18(2-4-20)19-11-21-24(34)22(12-23(33)30-27-13-17(14-27)15-27)26(35)32(25(21)29-16-19)6-5-31-7-9-36-10-8-31/h1-4,11,16-17,34H,5-10,12-15H2,(H,30,33)
InChIKeyIDOWTBUXZLRUAX-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide with MolForge

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Related Compounds

6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol
CID 167499653
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499609
N-(1-bicyclo[1.1.1]pentanyl)-6-(4-cyanophenyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335596
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499613
4-hydroxy-6-(4-methoxyphenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167499661
6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831476
N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831159
N-ethenyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-6-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 166831390
N-(1-bicyclo[1.1.1]pentanyl)-6-cyclobutyl-4-hydroxy-1-[2-(4-hydroxypiperidin-1-yl)ethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335609
6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831308
6-fluoro-3-(2-morpholin-4-ylethyl)-2-sulfanylidene-1H-quinazolin-4-one
CID 5228098
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 16878776

Frequently Asked Questions

What is the IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide?
The IUPAC name of N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide (CID 167499582) is N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide.
What is the SMILES notation for N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide?
The canonical SMILES for N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide is O=C(Cc1c(O)c2cc(-c3ccc(F)cc3)cnc2n(CCN2CCOCC2)c1=O)NC12CC(C1)C2.
What is the InChIKey of N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide?
The InChIKey is IDOWTBUXZLRUAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O4/c28-20-3-1-18(2-4-20)19-11-21-24(34)22(12-23(33)30-27-13-17(14-27)15-27)26(35)32(25(21)29-16-19)6-5-31-7-9-36-10-8-31/h1-4,11,16-17,34H,5-10,12-15H2,(H,30,33).
What are the key properties of N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide?
N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide has a molecular weight of 492.55 g/mol, XLogP of 2.45, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide is sourced from PubChem (CID 167499582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).