3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one

C17H17N3O2 — CID 139946765

IUPAC3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)n1c(=O)c(N)c(-c2ccc(O)cc2)c2cccnc21
InChIInChI=1S/C17H17N3O2/c1-10(2)20-16-13(4-3-9-19-16)14(15(18)17(20)22)11-5-7-12(21)8-6-11/h3-10,21H,18H2,1-2H3
InChIKeyRUUMWJVNAWOKHX-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.93
Rot. Bonds2

About 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one

3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one (PubChem CID 139946765) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one
PubChem CID139946765
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one
SMILESCC(C)n1c(=O)c(N)c(-c2ccc(O)cc2)c2cccnc21
InChIInChI=1S/C17H17N3O2/c1-10(2)20-16-13(4-3-9-19-16)14(15(18)17(20)22)11-5-7-12(21)8-6-11/h3-10,21H,18H2,1-2H3
InChIKeyRUUMWJVNAWOKHX-UHFFFAOYSA-N
XLogP2.93
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-fluorophenyl)-1-propan-2-ylpyrrolo[2,3-b]pyridin-2-yl]methylphosphonic acid
CID 70357988
1-methyl-3-propan-2-ylpyrido[2,3-d]pyrimidine-2,4-dione
CID 146615670
1-[1-butyl-4-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22106163
1-propan-2-ylpyrrolo[2,3-b]pyridin-2-amine
CID 170310746
3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 139946679
5-(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)benzene-1,3-diol
CID 107704572
2-[3-amino-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-1-yl]acetic acid
CID 139946730
4-amino-1-(2-methylpropyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 20524655
N-(2-ethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393780
N-[2-methyl-3-[2-[4-(4-methylpiperazin-1-yl)phenyl]-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl]phenyl]prop-2-enamide
CID 175748669
2-(2-oxo-3-propan-2-ylimidazo[4,5-b]pyridin-1-yl)acetic acid
CID 121199605
N-(3,5-dimethylphenyl)-4-(3-oxo-4-propan-2-ylpyrido[2,3-b]pyrazin-2-yl)benzamide
CID 46393790

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one?
The IUPAC name of 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one (CID 139946765) is 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one is CC(C)n1c(=O)c(N)c(-c2ccc(O)cc2)c2cccnc21.
What is the InChIKey of 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one?
The InChIKey is RUUMWJVNAWOKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-10(2)20-16-13(4-3-9-19-16)14(15(18)17(20)22)11-5-7-12(21)8-6-11/h3-10,21H,18H2,1-2H3.
What are the key properties of 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one?
3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one has a molecular weight of 295.34 g/mol, XLogP of 2.93, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one is sourced from PubChem (CID 139946765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).