3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea

C26H25ClN4O3 — CID 42715557

IUPAC3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
SMILESCOCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H25ClN4O3/c1-18(30(15-16-34-2)26(33)28-20-10-8-9-19(27)17-20)24-29-23-14-7-6-13-22(23)25(32)31(24)21-11-4-3-5-12-21/h3-14,17-18H,15-16H2,1-2H3,(H,28,33)
InChIKeyKFGKORSSTNZJND-UHFFFAOYSA-N
MW476.96 g/mol
LogP5.28
Rot. Bonds7

About 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea

3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea (PubChem CID 42715557) has the molecular formula C26H25ClN4O3 and a molecular weight of 476.96 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
PubChem CID42715557
Molecular FormulaC26H25ClN4O3
Molecular Weight476.96 g/mol
Exact Mass476.16
IUPAC Name3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
SMILESCOCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1
InChIInChI=1S/C26H25ClN4O3/c1-18(30(15-16-34-2)26(33)28-20-10-8-9-19(27)17-20)24-29-23-14-7-6-13-22(23)25(32)31(24)21-11-4-3-5-12-21/h3-14,17-18H,15-16H2,1-2H3,(H,28,33)
InChIKeyKFGKORSSTNZJND-UHFFFAOYSA-N
XLogP5.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.96
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-[1-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(3-methylbutyl)urea
CID 42717102
1-butyl-3-(3-chlorophenyl)-1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42713184
3-(4-chlorophenyl)-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4037309
1-[1-(6-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]-3-(3-chlorophenyl)-1-(2-methoxyethyl)urea
CID 42713998
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
CID 42721295
1-[2-(dimethylamino)ethyl]-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]-3-phenylurea
CID 42715578
1-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(2-methoxyethyl)-3-phenylurea
CID 42713023
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42720531
3-(2-bromophenyl)-1-[1-[7-chloro-3-(4-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 4041071
3-tert-butyl-1-[1-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-propylurea
CID 42717526
1-[1-[3-(4-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-[4-(trifluoromethyl)phenyl]urea
CID 4660417

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The IUPAC name of 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea (CID 42715557) is 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea is COCCN(C(=O)Nc1cccc(Cl)c1)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1.
What is the InChIKey of 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
The InChIKey is KFGKORSSTNZJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN4O3/c1-18(30(15-16-34-2)26(33)28-20-10-8-9-19(27)17-20)24-29-23-14-7-6-13-22(23)25(32)31(24)21-11-4-3-5-12-21/h3-14,17-18H,15-16H2,1-2H3,(H,28,33).
What are the key properties of 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea?
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea has a molecular weight of 476.96 g/mol, XLogP of 5.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea is sourced from PubChem (CID 42715557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).