3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea

C28H29ClN4O3 — CID 4037309

IUPAC3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
SMILESCCc1ccc(-n2c(C(C)N(CCOC)C(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H29ClN4O3/c1-4-20-9-15-23(16-10-20)33-26(31-25-8-6-5-7-24(25)27(33)34)19(2)32(17-18-36-3)28(35)30-22-13-11-21(29)12-14-22/h5-16,19H,4,17-18H2,1-3H3,(H,30,35)
InChIKeyNLZSVWFVTZHYIM-UHFFFAOYSA-N
MW505.02 g/mol
LogP5.84
Rot. Bonds8

About 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea

3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea (PubChem CID 4037309) has the molecular formula C28H29ClN4O3 and a molecular weight of 505.02 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
PubChem CID4037309
Molecular FormulaC28H29ClN4O3
Molecular Weight505.02 g/mol
Exact Mass504.19
IUPAC Name3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
SMILESCCc1ccc(-n2c(C(C)N(CCOC)C(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1
InChIInChI=1S/C28H29ClN4O3/c1-4-20-9-15-23(16-10-20)33-26(31-25-8-6-5-7-24(25)27(33)34)19(2)32(17-18-36-3)28(35)30-22-13-11-21(29)12-14-22/h5-16,19H,4,17-18H2,1-3H3,(H,30,35)
InChIKeyNLZSVWFVTZHYIM-UHFFFAOYSA-N
XLogP5.84
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea with MolForge

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Related Compounds

1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea
CID 42715522
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
1-butyl-3-(4-ethylphenyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715572
1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 4002237
1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4660417
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
CID 42721295
N-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(3-methoxypropyl)nonanamide
CID 42727899
3-(3-chlorophenyl)-1-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methylbutyl)urea
CID 42717102
3-(2-bromophenyl)-1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4041071
3-[3,5-bis(trifluoromethyl)phenyl]-1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-hexylurea
CID 42715592

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea (CID 4037309) is 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea is CCc1ccc(-n2c(C(C)N(CCOC)C(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea?
The InChIKey is NLZSVWFVTZHYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O3/c1-4-20-9-15-23(16-10-20)33-26(31-25-8-6-5-7-24(25)27(33)34)19(2)32(17-18-36-3)28(35)30-22-13-11-21(29)12-14-22/h5-16,19H,4,17-18H2,1-3H3,(H,30,35).
What are the key properties of 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea?
3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea has a molecular weight of 505.02 g/mol, XLogP of 5.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea is sourced from PubChem (CID 4037309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).