5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one

C21H16ClN3O — CID 46847351

IUPAC5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCc3ccccc3)c12
InChIInChI=1S/C21H16ClN3O/c22-16-8-6-15(7-9-16)17-13-24-18-10-11-23-21(19(18)20(17)26)25-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyVYWGHOZLMLMUQK-UHFFFAOYSA-N
MW361.83 g/mol
LogP4.86
Rot. Bonds4

About 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one

5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one (PubChem CID 46847351) has the molecular formula C21H16ClN3O and a molecular weight of 361.83 g/mol. Its IUPAC name is 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one
PubChem CID46847351
Molecular FormulaC21H16ClN3O
Molecular Weight361.83 g/mol
Exact Mass361.10
IUPAC Name5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one
SMILESO=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCc3ccccc3)c12
InChIInChI=1S/C21H16ClN3O/c22-16-8-6-15(7-9-16)17-13-24-18-10-11-23-21(19(18)20(17)26)25-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,25)(H,24,26)
InChIKeyVYWGHOZLMLMUQK-UHFFFAOYSA-N
XLogP4.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-anilino-3-[4-(trifluoromethyl)phenyl]-1H-1,6-naphthyridin-4-one
CID 46847900
[2-(benzylamino)-3-pyridinyl]-(6-chloro-1H-indol-3-yl)methanone
CID 118038327
N-benzyl-7-(4-chlorophenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4115346
N-benzyl-5-(4-chlorophenyl)-7-(3-methoxyphenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 132515794
N-benzyl-4-chloroaniline chloride
CID 45109713
N-[4-[2-fluoro-4-[[3-(4-fluorophenyl)-4-oxo-1H-1,6-naphthyridin-5-yl]amino]phenoxy]-2-pyridinyl]propanamide
CID 155545590
2-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 10154692
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
N-benzyl-5-chloro-1H-indazol-3-amine
CID 142275552
N-benzyl-6-(4-chlorophenyl)-3-pyridin-3-yl-1,2,4-triazin-5-amine
CID 22118832
4-[[(3-phenyl-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]methyl]benzenesulfonamide
CID 173238979
3-(benzylamino)-1-(3-chloro-4-fluorophenyl)pyrazin-2-one
CID 46337507

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one?
The IUPAC name of 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one (CID 46847351) is 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one.
What is the SMILES notation for 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one?
The canonical SMILES for 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one is O=c1c(-c2ccc(Cl)cc2)c[nH]c2ccnc(NCc3ccccc3)c12.
What is the InChIKey of 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one?
The InChIKey is VYWGHOZLMLMUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O/c22-16-8-6-15(7-9-16)17-13-24-18-10-11-23-21(19(18)20(17)26)25-12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H,23,25)(H,24,26).
What are the key properties of 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one?
5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one has a molecular weight of 361.83 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-3-(4-chlorophenyl)-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 46847351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).