2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

C26H27N5O — CID 20790833

IUPAC2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(N3CCN(C)CC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H27N5O/c1-19-17-22-25(26(27-19)30-15-13-29(2)14-16-30)23(32)18-24(28-20-9-5-3-6-10-20)31(22)21-11-7-4-8-12-21/h3-12,17-18,28H,13-16H2,1-2H3
InChIKeyOUURUHVUYWGJCX-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.19
Rot. Bonds4

About 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790833) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790833
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESCc1cc2c(c(N3CCN(C)CC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1
InChIInChI=1S/C26H27N5O/c1-19-17-22-25(26(27-19)30-15-13-29(2)14-16-30)23(32)18-24(28-20-9-5-3-6-10-20)31(22)21-11-7-4-8-12-21/h3-12,17-18,28H,13-16H2,1-2H3
InChIKeyOUURUHVUYWGJCX-UHFFFAOYSA-N
XLogP4.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-5-(anilinomethyl)-7-methyl-1-phenyl-1,6-naphthyridin-4-one
CID 20790544
(E)-3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)prop-2-enoic acid
CID 20790965
3-(2-anilino-7-methyl-4-oxo-1-phenyl-1,6-naphthyridin-5-yl)-N-phenylpropanamide
CID 20790964
7-anilino-2-methyl-5-oxo-8-phenyl-1,8-naphthyridine-4-carboxylic acid
CID 20791091
2-(cyclohexa-1,5-dien-1-ylamino)-5,7-dimethyl-1-phenyl-1,6-naphthyridin-4-one
CID 142225594
5-amino-2-anilino-1-phenyl-1,7-naphthyridin-4-one
CID 58589534
7-anilino-N-cyclopropyl-4-methyl-5-oxo-8-phenyl-1,8-naphthyridine-2-carboxamide
CID 10201627
2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-methyl-5-propan-2-yloxy-1,6-naphthyridin-4-one
CID 10223955
2-anilino-7-[hydroxy(thiophen-2-yl)methyl]-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 10181691
2-anilino-6-fluoro-7-morpholin-4-yl-1-phenyl-1,8-naphthyridin-4-one
CID 10295380
2-anilino-7-(4-chlorobenzoyl)-5-methyl-1-phenyl-1,8-naphthyridin-4-one
CID 20790680
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (CID 20790833) is 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is Cc1cc2c(c(N3CCN(C)CC3)n1)c(=O)cc(Nc1ccccc1)n2-c1ccccc1.
What is the InChIKey of 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is OUURUHVUYWGJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c1-19-17-22-25(26(27-19)30-15-13-29(2)14-16-30)23(32)18-24(28-20-9-5-3-6-10-20)31(22)21-11-7-4-8-12-21/h3-12,17-18,28H,13-16H2,1-2H3.
What are the key properties of 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 425.54 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-methyl-5-(4-methylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).