1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea

C33H32N4O4 — CID 42722239

IUPAC1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccccc1-n1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C33H32N4O4/c1-4-41-30-21-13-11-19-28(30)37-31(34-26-17-9-8-16-25(26)32(37)38)23(2)36(22-24-14-6-5-7-15-24)33(39)35-27-18-10-12-20-29(27)40-3/h5-21,23H,4,22H2,1-3H3,(H,35,39)
InChIKeyYSDSLBDNYPKZFI-UHFFFAOYSA-N
MW548.64 g/mol
LogP6.59
Rot. Bonds9

About 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea

1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea (PubChem CID 42722239) has the molecular formula C33H32N4O4 and a molecular weight of 548.64 g/mol. Its IUPAC name is 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea
PubChem CID42722239
Molecular FormulaC33H32N4O4
Molecular Weight548.64 g/mol
Exact Mass548.24
IUPAC Name1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea
SMILESCCOc1ccccc1-n1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C33H32N4O4/c1-4-41-30-21-13-11-19-28(30)37-31(34-26-17-9-8-16-25(26)32(37)38)23(2)36(22-24-14-6-5-7-15-24)33(39)35-27-18-10-12-20-29(27)40-3/h5-21,23H,4,22H2,1-3H3,(H,35,39)
InChIKeyYSDSLBDNYPKZFI-UHFFFAOYSA-N
XLogP6.59
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.64
LogP ≤ 56.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea 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 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea (CID 42722239) is 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea is CCOc1ccccc1-n1c(C(C)N(Cc2ccccc2)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O.
What is the InChIKey of 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea?
The InChIKey is YSDSLBDNYPKZFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N4O4/c1-4-41-30-21-13-11-19-28(30)37-31(34-26-17-9-8-16-25(26)32(37)38)23(2)36(22-24-14-6-5-7-15-24)33(39)35-27-18-10-12-20-29(27)40-3/h5-21,23H,4,22H2,1-3H3,(H,35,39).
What are the key properties of 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea?
1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea has a molecular weight of 548.64 g/mol, XLogP of 6.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 42722239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).