1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea

C30H34N4O4 — CID 4573937

IUPAC1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C30H34N4O4/c1-5-7-20-33(30(36)32-23-16-10-12-18-26(23)37-3)24(6-2)28-31-22-15-9-8-14-21(22)29(35)34(28)25-17-11-13-19-27(25)38-4/h8-19,24H,5-7,20H2,1-4H3,(H,32,36)
InChIKeyIOTOUSTYWCYCQY-UHFFFAOYSA-N
MW514.63 g/mol
LogP6.19
Rot. Bonds10

About 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea

1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (PubChem CID 4573937) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.

Molecular Properties

Compound Name1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
PubChem CID4573937
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Name1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
SMILESCCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC
InChIInChI=1S/C30H34N4O4/c1-5-7-20-33(30(36)32-23-16-10-12-18-26(23)37-3)24(6-2)28-31-22-15-9-8-14-21(22)29(35)34(28)25-17-11-13-19-27(25)38-4/h8-19,24H,5-7,20H2,1-4H3,(H,32,36)
InChIKeyIOTOUSTYWCYCQY-UHFFFAOYSA-N
XLogP6.19
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea with MolForge

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Related Compounds

1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-3-(4-methylphenyl)-1-pentylurea
CID 42723161
3-(4-bromophenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-pentylurea
CID 42723164
1-hexyl-3-(2-methoxyphenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42713559
3-[2,6-di(propan-2-yl)phenyl]-1-hexyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42723180
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4023310
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
4-fluoro-N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-pentylbenzamide
CID 42723520
1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methoxyphenyl)urea
CID 42714474
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
3-(4-chlorophenyl)-1-ethyl-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 42722815
N-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-N-(3-methoxypropyl)-2,2-diphenylacetamide
CID 4695441

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The IUPAC name of 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea (CID 4573937) is 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea.
What is the SMILES notation for 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The canonical SMILES for 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is CCCCN(C(=O)Nc1ccccc1OC)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1OC.
What is the InChIKey of 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
The InChIKey is IOTOUSTYWCYCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-5-7-20-33(30(36)32-23-16-10-12-18-26(23)37-3)24(6-2)28-31-22-15-9-8-14-21(22)29(35)34(28)25-17-11-13-19-27(25)38-4/h8-19,24H,5-7,20H2,1-4H3,(H,32,36).
What are the key properties of 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea?
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea has a molecular weight of 514.63 g/mol, XLogP of 6.19, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea is sourced from PubChem (CID 4573937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).