2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride

C29H26ClN3O — CID 173037997

IUPAC2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
SMILESCc1cc(C)cc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1.Cl
InChIInChI=1S/C29H25N3O.ClH/c1-18-12-19(2)14-23(13-18)26-17-31-29(33)25-15-24(21-6-4-3-5-7-21)27(32-28(25)26)22-10-8-20(16-30)9-11-22;/h3-15,17H,16,30H2,1-2H3,(H,31,33);1H
InChIKeyYCYRUFHUODIPLX-UHFFFAOYSA-N
MW468.00 g/mol
LogP6.42
Rot. Bonds4

About 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride

2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride (PubChem CID 173037997) has the molecular formula C29H26ClN3O and a molecular weight of 468.00 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
PubChem CID173037997
Molecular FormulaC29H26ClN3O
Molecular Weight468.00 g/mol
Exact Mass467.18
IUPAC Name2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride
SMILESCc1cc(C)cc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1.Cl
InChIInChI=1S/C29H25N3O.ClH/c1-18-12-19(2)14-23(13-18)26-17-31-29(33)25-15-24(21-6-4-3-5-7-21)27(32-28(25)26)22-10-8-20(16-30)9-11-22;/h3-15,17H,16,30H2,1-2H3,(H,31,33);1H
InChIKeyYCYRUFHUODIPLX-UHFFFAOYSA-N
XLogP6.42
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.00
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)phenyl]-3-phenyl-8-pyridin-3-yl-6H-1,6-naphthyridin-5-one
CID 58524399
3-[2-[4-(aminomethyl)phenyl]-5-oxo-3-phenyl-6H-1,6-naphthyridin-8-yl]-N-methylbenzamide
CID 58524283
2-[4-(aminomethyl)phenyl]-8-(4-methylthiophen-3-yl)-3-phenyl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171929567
[4-[5-oxo-3-phenyl-8-(3-sulfanylphenyl)-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524555
[4-[8-(3-acetylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524164
8-(3,5-dichlorophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038170
[4-[8-(3-methylsulfonylphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524679
2-[4-(aminomethyl)phenyl]-3-phenyl-8-thiophen-2-yl-6H-1,6-naphthyridin-5-one;2,2,2-trifluoroacetic acid
CID 171928748
2,3-diphenyl-8-[3-(trifluoromethyl)phenyl]-6H-1,6-naphthyridin-5-one
CID 173110698
[4-[8-(3-ethoxyphenyl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524504
8-(4-nitrophenyl)-2,3-diphenyl-6H-1,6-naphthyridin-5-one
CID 173038098
[4-[8-(furan-3-yl)-5-oxo-3-phenyl-6H-1,6-naphthyridin-2-yl]phenyl]methylazanium
CID 58524717

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride?
The IUPAC name of 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride (CID 173037997) is 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride.
What is the SMILES notation for 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride?
The canonical SMILES for 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride is Cc1cc(C)cc(-c2c[nH]c(=O)c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc23)c1.Cl.
What is the InChIKey of 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride?
The InChIKey is YCYRUFHUODIPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O.ClH/c1-18-12-19(2)14-23(13-18)26-17-31-29(33)25-15-24(21-6-4-3-5-7-21)27(32-28(25)26)22-10-8-20(16-30)9-11-22;/h3-15,17H,16,30H2,1-2H3,(H,31,33);1H.
What are the key properties of 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride?
2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride has a molecular weight of 468.00 g/mol, XLogP of 6.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenyl]-8-(3,5-dimethylphenyl)-3-phenyl-6H-1,6-naphthyridin-5-one;hydrochloride is sourced from PubChem (CID 173037997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).