3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea

C27H26Cl2N4O2 — CID 42716184

IUPAC3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H26Cl2N4O2/c1-3-17-32(27(35)31-22-16-10-14-20(28)24(22)29)23(4-2)25-30-21-15-9-8-13-19(21)26(34)33(25)18-11-6-5-7-12-18/h5-16,23H,3-4,17H2,1-2H3,(H,31,35)
InChIKeyPVWKCPZKMXJIRG-UHFFFAOYSA-N
MW509.44 g/mol
LogP7.09
Rot. Bonds7

About 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea

3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea (PubChem CID 42716184) has the molecular formula C27H26Cl2N4O2 and a molecular weight of 509.44 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
PubChem CID42716184
Molecular FormulaC27H26Cl2N4O2
Molecular Weight509.44 g/mol
Exact Mass508.14
IUPAC Name3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea
SMILESCCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C27H26Cl2N4O2/c1-3-17-32(27(35)31-22-16-10-14-20(28)24(22)29)23(4-2)25-30-21-15-9-8-13-19(21)26(34)33(25)18-11-6-5-7-12-18/h5-16,23H,3-4,17H2,1-2H3,(H,31,35)
InChIKeyPVWKCPZKMXJIRG-UHFFFAOYSA-N
XLogP7.09
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 57.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,3-dichlorophenyl)-1-(3-methylbutyl)-1-[(1S)-1-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 98422054
3-(2,3-dichlorophenyl)-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]propyl]-1-(2-phenylethyl)urea
CID 42721067
1-benzyl-1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]propyl]-3-(2,3-dichlorophenyl)urea
CID 3893628
1-butyl-3-(2,3-dichlorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42712982
1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]propyl]-3-naphthalen-1-yl-1-propylurea
CID 42718648
3-(2,3-dichlorophenyl)-1-[1-(3-methyl-4-oxoquinazolin-2-yl)ethyl]-1-propylurea
CID 42712752
2-chloro-N-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-N-propylbenzamide
CID 42716285
1-butyl-3-(2-methylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]urea
CID 42716190
1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]propyl]-3-ethyl-1-propylurea
CID 42720389
3-(2-methoxyphenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 42718730
1-[1-[3-(4-bromophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2,3-dichlorophenyl)-1-hexylurea
CID 4538880
3-(2-bromophenyl)-1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-propylurea
CID 3497094

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea?
The IUPAC name of 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea (CID 42716184) is 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea is CCCN(C(=O)Nc1cccc(Cl)c1Cl)C(CC)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea?
The InChIKey is PVWKCPZKMXJIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2/c1-3-17-32(27(35)31-22-16-10-14-20(28)24(22)29)23(4-2)25-30-21-15-9-8-13-19(21)26(34)33(25)18-11-6-5-7-12-18/h5-16,23H,3-4,17H2,1-2H3,(H,31,35).
What are the key properties of 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea?
3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea has a molecular weight of 509.44 g/mol, XLogP of 7.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)propyl]-1-propylurea is sourced from PubChem (CID 42716184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).