1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone

C25H22N2O2 — CID 177349681

IUPAC1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone
SMILESCCc1nc(C(C)=O)cc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H22N2O2/c1-3-22-21-13-20(18-7-5-4-6-8-18)25(19-11-9-17(15-28)10-12-19)27-24(21)14-23(26-22)16(2)29/h4-14,28H,3,15H2,1-2H3
InChIKeyHEKXCCUVIYDMBT-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.22
Rot. Bonds5

About 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone

1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone (PubChem CID 177349681) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone
PubChem CID177349681
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone
SMILESCCc1nc(C(C)=O)cc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12
InChIInChI=1S/C25H22N2O2/c1-3-22-21-13-20(18-7-5-4-6-8-18)25(19-11-9-17(15-28)10-12-19)27-24(21)14-23(26-22)16(2)29/h4-14,28H,3,15H2,1-2H3
InChIKeyHEKXCCUVIYDMBT-UHFFFAOYSA-N
XLogP5.22
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-phenyl-5-propyl-1,6-naphthyridin-2-yl)phenyl]methanamine;hydrochloride
CID 173038267
4-(2,3-diphenyl-1,6-naphthyridin-5-yl)-2-methylbutan-2-ol
CID 173038113
[4-[5-[[[4-(azaniumylmethyl)benzoyl]amino]methyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524501
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
2-[4-(aminomethyl)phenyl]-N-methyl-3-phenyl-1,6-naphthyridine-5-carboxamide
CID 53251563
[2-(4-methylphenyl)-3-phenyl-1,6-naphthyridin-5-yl]methanamine
CID 173108160
3-(4-ethylphenyl)-2-phenylquinoxalin-5-ol
CID 136657429
[4-[5-[2-[4-(azaniumylmethyl)phenyl]-3-phenyl-1,6-naphthyridin-5-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524189
tert-butyl N-[[4-[5-(3-hydroxypropyl)-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methyl]carbamate
CID 58524619
[4-[5-[4-(2-hydroxyethylcarbamoyl)phenyl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524736
[4-(3,5-diphenyl-1,6-naphthyridin-2-yl)phenyl]methanamine;dihydrochloride
CID 173038029
[4-[5-[5-(hydroxymethyl)-2H-triazol-4-yl]-3-phenyl-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524870

Frequently Asked Questions

What is the IUPAC name of 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone?
The IUPAC name of 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone (CID 177349681) is 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone.
What is the SMILES notation for 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone?
The canonical SMILES for 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone is CCc1nc(C(C)=O)cc2nc(-c3ccc(CO)cc3)c(-c3ccccc3)cc12.
What is the InChIKey of 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone?
The InChIKey is HEKXCCUVIYDMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c1-3-22-21-13-20(18-7-5-4-6-8-18)25(19-11-9-17(15-28)10-12-19)27-24(21)14-23(26-22)16(2)29/h4-14,28H,3,15H2,1-2H3.
What are the key properties of 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone?
1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone has a molecular weight of 382.46 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-[4-(hydroxymethyl)phenyl]-3-phenyl-1,6-naphthyridin-7-yl]ethanone is sourced from PubChem (CID 177349681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).