N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide

C37H29N7O2 — CID 15780089

IUPACN-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide
SMILESCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C37H29N7O2/c1-25-38-34-21-20-30(44(24-26-10-4-2-5-11-26)36(45)29-12-6-3-7-13-29)22-33(34)37(46)43(25)23-27-16-18-28(19-17-27)31-14-8-9-15-32(31)35-39-41-42-40-35/h2-22H,23-24H2,1H3,(H,39,40,41,42)
InChIKeyFEWXOPDQNUMGCM-UHFFFAOYSA-N
MW603.69 g/mol
LogP6.45
Rot. Bonds8

About N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide

N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide (PubChem CID 15780089) has the molecular formula C37H29N7O2 and a molecular weight of 603.69 g/mol. Its IUPAC name is N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide
PubChem CID15780089
Molecular FormulaC37H29N7O2
Molecular Weight603.69 g/mol
Exact Mass603.24
IUPAC NameN-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide
SMILESCc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C37H29N7O2/c1-25-38-34-21-20-30(44(24-26-10-4-2-5-11-26)36(45)29-12-6-3-7-13-29)22-33(34)37(46)43(25)23-27-16-18-28(19-17-27)31-14-8-9-15-32(31)35-39-41-42-40-35/h2-22H,23-24H2,1H3,(H,39,40,41,42)
InChIKeyFEWXOPDQNUMGCM-UHFFFAOYSA-N
XLogP6.45
TPSA109.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.69
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide?
The IUPAC name of N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide (CID 15780089) is N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide.
What is the SMILES notation for N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide?
The canonical SMILES for N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide is Cc1nc2ccc(N(Cc3ccccc3)C(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide?
The InChIKey is FEWXOPDQNUMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N7O2/c1-25-38-34-21-20-30(44(24-26-10-4-2-5-11-26)36(45)29-12-6-3-7-13-29)22-33(34)37(46)43(25)23-27-16-18-28(19-17-27)31-14-8-9-15-32(31)35-39-41-42-40-35/h2-22H,23-24H2,1H3,(H,39,40,41,42).
What are the key properties of N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide?
N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide has a molecular weight of 603.69 g/mol, XLogP of 6.45, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-methyl-4-oxo-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]quinazolin-6-yl]benzamide is sourced from PubChem (CID 15780089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).