N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide

C38H31N5O3 — CID 58694551

IUPACN-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N1CCN(c2ccc3c(=O)cc(N(C(=O)c4ccccc4)c4ccccc4)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C38H31N5O3/c44-33-27-35(43(31-19-11-4-12-20-31)38(46)29-15-7-2-8-16-29)42(30-17-9-3-10-18-30)36-32(33)21-22-34(39-36)40-23-25-41(26-24-40)37(45)28-13-5-1-6-14-28/h1-22,27H,23-26H2
InChIKeyAMALXYICRTXEDD-UHFFFAOYSA-N
MW605.70 g/mol
LogP6.33
Rot. Bonds6

About N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide

N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide (PubChem CID 58694551) has the molecular formula C38H31N5O3 and a molecular weight of 605.70 g/mol. Its IUPAC name is N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide.

Molecular Properties

Compound NameN-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide
PubChem CID58694551
Molecular FormulaC38H31N5O3
Molecular Weight605.70 g/mol
Exact Mass605.24
IUPAC NameN-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide
SMILESO=C(c1ccccc1)N1CCN(c2ccc3c(=O)cc(N(C(=O)c4ccccc4)c4ccccc4)n(-c4ccccc4)c3n2)CC1
InChIInChI=1S/C38H31N5O3/c44-33-27-35(43(31-19-11-4-12-20-31)38(46)29-15-7-2-8-16-29)42(30-17-9-3-10-18-30)36-32(33)21-22-34(39-36)40-23-25-41(26-24-40)37(45)28-13-5-1-6-14-28/h1-22,27H,23-26H2
InChIKeyAMALXYICRTXEDD-UHFFFAOYSA-N
XLogP6.33
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.70
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide?
The IUPAC name of N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide (CID 58694551) is N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide.
What is the SMILES notation for N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide?
The canonical SMILES for N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide is O=C(c1ccccc1)N1CCN(c2ccc3c(=O)cc(N(C(=O)c4ccccc4)c4ccccc4)n(-c4ccccc4)c3n2)CC1.
What is the InChIKey of N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide?
The InChIKey is AMALXYICRTXEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N5O3/c44-33-27-35(43(31-19-11-4-12-20-31)38(46)29-15-7-2-8-16-29)42(30-17-9-3-10-18-30)36-32(33)21-22-34(39-36)40-23-25-41(26-24-40)37(45)28-13-5-1-6-14-28/h1-22,27H,23-26H2.
What are the key properties of N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide?
N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide has a molecular weight of 605.70 g/mol, XLogP of 6.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-benzoylpiperazin-1-yl)-4-oxo-1-phenyl-1,8-naphthyridin-2-yl]-N-phenylbenzamide is sourced from PubChem (CID 58694551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).