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

C18H19N3O2 — CID 139946679

IUPAC3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCCn1c(=O)c(N)c(-c2ccccc2O)c2cccnc21
InChIInChI=1S/C18H19N3O2/c1-2-3-11-21-17-13(8-6-10-20-17)15(16(19)18(21)23)12-7-4-5-9-14(12)22/h4-10,22H,2-3,11,19H2,1H3
InChIKeyYQRDEHUGWJTWRW-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.15
Rot. Bonds4

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

3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one (PubChem CID 139946679) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
PubChem CID139946679
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
SMILESCCCCn1c(=O)c(N)c(-c2ccccc2O)c2cccnc21
InChIInChI=1S/C18H19N3O2/c1-2-3-11-21-17-13(8-6-10-20-17)15(16(19)18(21)23)12-7-4-5-9-14(12)22/h4-10,22H,2-3,11,19H2,1H3
InChIKeyYQRDEHUGWJTWRW-UHFFFAOYSA-N
XLogP3.15
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-butyl-1-hexyl-4-hydroxy-1,8-naphthyridin-2-one
CID 54734724
1-butyl-2-methyl-1,8-naphthyridin-4-one
CID 150875994
1-butyl-4-(3-fluorophenyl)-2-oxo-1,8-naphthyridine-3-carboxylic acid
CID 22106066
1,4-dihydroxy-3-(2-hydroxyphenyl)-1,8-naphthyridin-2-one
CID 54735038
1-[4-(3-aminophenyl)-1-butyl-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22105990
1-[1-butyl-4-(4-hydroxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22106163
2-amino-3-butylquinazolin-4-one
CID 71653207
phenyl N-[1-butyl-4-(3-methoxyphenyl)-2-oxo-1,8-naphthyridin-3-yl]carbamate
CID 139924711
1-[4-(4-bromophenyl)-1-butyl-2-oxo-1,8-naphthyridin-3-yl]-3-[2,6-di(propan-2-yl)phenyl]urea
CID 22106350
2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)phenol
CID 84689140
1-butyl-3-(1,1-dihydroxy-4H-1λ4,2,4-benzothiadiazin-3-yl)-4-(2-hydroxyethylamino)-1,8-naphthyridin-2-one
CID 67063254
3-amino-4-(4-hydroxyphenyl)-1-propan-2-yl-1,8-naphthyridin-2-one
CID 139946765

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The IUPAC name of 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one (CID 139946679) is 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The canonical SMILES for 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one is CCCCn1c(=O)c(N)c(-c2ccccc2O)c2cccnc21.
What is the InChIKey of 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
The InChIKey is YQRDEHUGWJTWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-3-11-21-17-13(8-6-10-20-17)15(16(19)18(21)23)12-7-4-5-9-14(12)22/h4-10,22H,2-3,11,19H2,1H3.
What are the key properties of 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one?
3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butyl-4-(2-hydroxyphenyl)-1,8-naphthyridin-2-one is sourced from PubChem (CID 139946679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).