5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride

C15H14ClN3O — CID 164563738

IUPAC5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C15H13N3O.ClH/c16-9-10-1-3-11(4-2-10)12-7-8-17-15-13(12)5-6-14(19)18-15;/h1-8H,9,16H2,(H,17,18,19);1H
InChIKeyLZYHNOBFDPRQNF-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.47
Rot. Bonds2

About 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride

5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride (PubChem CID 164563738) has the molecular formula C15H14ClN3O and a molecular weight of 287.75 g/mol. Its IUPAC name is 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride.

Molecular Properties

Compound Name5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
PubChem CID164563738
Molecular FormulaC15H14ClN3O
Molecular Weight287.75 g/mol
Exact Mass287.08
IUPAC Name5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride
SMILESCl.NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1
InChIInChI=1S/C15H13N3O.ClH/c16-9-10-1-3-11(4-2-10)12-7-8-17-15-13(12)5-6-14(19)18-15;/h1-8H,9,16H2,(H,17,18,19);1H
InChIKeyLZYHNOBFDPRQNF-UHFFFAOYSA-N
XLogP2.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(1-aminoethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563764
5-[4-(diethoxyphosphorylmethyl)phenyl]-1H-1,8-naphthyridin-2-one
CID 164563801
tert-butyl N-[[4-(7-oxo-8H-1,8-naphthyridin-4-yl)phenyl]methyl]carbamate
CID 164563752
5-[4-[(1S)-1-[methyl(sulfinato)amino]ethyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349644
5-[3-fluoro-4-[[methyl(sulfamoyl)amino]methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563700
5-(5-amino-2-fluorophenyl)-1H-1,8-naphthyridin-2-one
CID 171456884
[4-(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanamine
CID 170449818
5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
5-[4-[(cyclopropylamino)methyl]-3-fluorophenyl]-1H-1,8-naphthyridin-2-one
CID 164563669
5-[2,6-difluoro-4-[(sulfamoylamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 164563698
5-[2,6-difluoro-4-[(sulfinoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine
CID 170349620
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256

Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride?
The IUPAC name of 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride (CID 164563738) is 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride.
What is the SMILES notation for 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride?
The canonical SMILES for 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride is Cl.NCc1ccc(-c2ccnc3[nH]c(=O)ccc23)cc1.
What is the InChIKey of 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride?
The InChIKey is LZYHNOBFDPRQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O.ClH/c16-9-10-1-3-11(4-2-10)12-7-8-17-15-13(12)5-6-14(19)18-15;/h1-8H,9,16H2,(H,17,18,19);1H.
What are the key properties of 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride?
5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride has a molecular weight of 287.75 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)phenyl]-1H-1,8-naphthyridin-2-one;hydrochloride is sourced from PubChem (CID 164563738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).