2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

C31H27N5O2 — CID 20790675

IUPAC2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=C(c1ccccc1)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1
InChIInChI=1S/C31H27N5O2/c37-28-21-30(33-24-12-6-2-7-13-24)36(25-14-8-3-9-15-25)27-20-29(32-22-26(27)28)34-16-18-35(19-17-34)31(38)23-10-4-1-5-11-23/h1-15,20-22,33H,16-19H2
InChIKeyRLRGJWPQJQDWOO-UHFFFAOYSA-N
MW501.59 g/mol
LogP5.09
Rot. Bonds5

About 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one

2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (PubChem CID 20790675) has the molecular formula C31H27N5O2 and a molecular weight of 501.59 g/mol. Its IUPAC name is 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
PubChem CID20790675
Molecular FormulaC31H27N5O2
Molecular Weight501.59 g/mol
Exact Mass501.22
IUPAC Name2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one
SMILESO=C(c1ccccc1)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1
InChIInChI=1S/C31H27N5O2/c37-28-21-30(33-24-12-6-2-7-13-24)36(25-14-8-3-9-15-25)27-20-29(32-22-26(27)28)34-16-18-35(19-17-34)31(38)23-10-4-1-5-11-23/h1-15,20-22,33H,16-19H2
InChIKeyRLRGJWPQJQDWOO-UHFFFAOYSA-N
XLogP5.09
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.59
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-anilino-4-oxo-1-phenyl-1,6-naphthyridine-7-carboxamide
CID 10155193
4-(2-amino-4-oxo-1-phenyl-1,6-naphthyridin-7-yl)-N-phenylpiperazine-1-carboxamide
CID 70334429
2-anilino-7-[(4-methoxyphenoxy)methyl]-1-phenyl-1,6-naphthyridin-4-one
CID 20790696
2,8-dianilino-1-phenyl-1,6-naphthyridin-4-one
CID 20790469
(5-anilino-3-pyridinyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109237604
2-anilino-1-phenyl-1,8-naphthyridin-4-one
CID 141067621
N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide
CID 58694551
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151
[4-(6-amino-3-pyridinyl)piperazin-1-yl]-phenylmethanone
CID 43461867
2-[4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]phenyl]isoindole-1,3-dione
CID 108759639
(2-anilinopyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 74233329

Frequently Asked Questions

What is the IUPAC name of 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The IUPAC name of 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one (CID 20790675) is 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one.
What is the SMILES notation for 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The canonical SMILES for 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is O=C(c1ccccc1)N1CCN(c2cc3c(cn2)c(=O)cc(Nc2ccccc2)n3-c2ccccc2)CC1.
What is the InChIKey of 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
The InChIKey is RLRGJWPQJQDWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27N5O2/c37-28-21-30(33-24-12-6-2-7-13-24)36(25-14-8-3-9-15-25)27-20-29(32-22-26(27)28)34-16-18-35(19-17-34)31(38)23-10-4-1-5-11-23/h1-15,20-22,33H,16-19H2.
What are the key properties of 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one?
2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one has a molecular weight of 501.59 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-7-(4-benzoylpiperazin-1-yl)-1-phenyl-1,6-naphthyridin-4-one is sourced from PubChem (CID 20790675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).