1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea

C27H28N4O3 — CID 42721591

IUPAC1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C27H28N4O3/c1-5-19-12-6-10-16-23(19)31-25(28-21-14-8-7-13-20(21)26(31)32)18(2)30(3)27(33)29-22-15-9-11-17-24(22)34-4/h6-18H,5H2,1-4H3,(H,29,33)
InChIKeyXWLMIQJBBOZLLR-UHFFFAOYSA-N
MW456.55 g/mol
LogP5.18
Rot. Bonds6

About 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea

1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea (PubChem CID 42721591) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
PubChem CID42721591
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
SMILESCCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O
InChIInChI=1S/C27H28N4O3/c1-5-19-12-6-10-16-23(19)31-25(28-21-14-8-7-13-20(21)26(31)32)18(2)30(3)27(33)29-22-15-9-11-17-24(22)34-4/h6-18H,5H2,1-4H3,(H,29,33)
InChIKeyXWLMIQJBBOZLLR-UHFFFAOYSA-N
XLogP5.18
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.55
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42722210
3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718203
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42721579
3-(3-chlorophenyl)-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42721577
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
CID 42720578
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 42721554
3-(2,4-dimethoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]-1-methylurea
CID 42722811
1-butyl-3-(2-methoxyphenyl)-1-[1-[3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]propyl]urea
CID 4573937
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42721329
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methoxyphenyl)-1-(3-methylbutyl)urea
CID 3985604
1-[1-[3-(2-bromo-3,5-dimethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)urea
CID 42722133

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea (CID 42721591) is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea is CCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2ccccc2OC)nc2ccccc2c1=O.
What is the InChIKey of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
The InChIKey is XWLMIQJBBOZLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-5-19-12-6-10-16-23(19)31-25(28-21-14-8-7-13-20(21)26(31)32)18(2)30(3)27(33)29-22-15-9-11-17-24(22)34-4/h6-18H,5H2,1-4H3,(H,29,33).
What are the key properties of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea?
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea has a molecular weight of 456.55 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 42721591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).