1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea

C27H28N4O2 — CID 42721579

IUPAC1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C27H28N4O2/c1-5-20-12-6-9-16-24(20)31-25(29-23-15-8-7-14-22(23)26(31)32)19(3)30(4)27(33)28-21-13-10-11-18(2)17-21/h6-17,19H,5H2,1-4H3,(H,28,33)
InChIKeyCELHABILQHUONZ-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.48
Rot. Bonds5

About 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea

1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea (PubChem CID 42721579) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
PubChem CID42721579
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
SMILESCCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C27H28N4O2/c1-5-20-12-6-9-16-24(20)31-25(29-23-15-8-7-14-22(23)26(31)32)19(3)30(4)27(33)28-21-13-10-11-18(2)17-21/h6-17,19H,5H2,1-4H3,(H,28,33)
InChIKeyCELHABILQHUONZ-UHFFFAOYSA-N
XLogP5.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chlorophenyl)-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42721577
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42720184
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
CID 42721295
3-(3-chlorophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42720181
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methoxyphenyl)-1-methylurea
CID 42721591
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methylphenyl)-1-propylurea
CID 3540139
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methoxyphenyl)-1-(3-methylbutyl)urea
CID 3985604
1-methyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(4-propan-2-ylphenyl)urea
CID 42718277
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methyl-2-phenylacetamide
CID 42721554
3-[2,6-di(propan-2-yl)phenyl]-1-methyl-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718274
2-chloro-N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 42721552
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-methylurea
CID 3297749

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea?
The IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea (CID 42721579) is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea is CCc1ccccc1-n1c(C(C)N(C)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea?
The InChIKey is CELHABILQHUONZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-5-20-12-6-9-16-24(20)31-25(29-23-15-8-7-14-22(23)26(31)32)19(3)30(4)27(33)28-21-13-10-11-18(2)17-21/h6-17,19H,5H2,1-4H3,(H,28,33).
What are the key properties of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea?
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea has a molecular weight of 440.55 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea is sourced from PubChem (CID 42721579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).