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

C29H32N4O3 — CID 42721295

IUPAC1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
SMILESCCc1ccccc1-n1c(C(C)N(CCOC)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C29H32N4O3/c1-5-22-12-6-9-16-26(22)33-27(31-25-15-8-7-14-24(25)28(33)34)21(3)32(17-18-36-4)29(35)30-23-13-10-11-20(2)19-23/h6-16,19,21H,5,17-18H2,1-4H3,(H,30,35)
InChIKeyITSPQZKOQZRRTM-UHFFFAOYSA-N
MW484.60 g/mol
LogP5.50
Rot. Bonds8

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

1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea (PubChem CID 42721295) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
PubChem CID42721295
Molecular FormulaC29H32N4O3
Molecular Weight484.60 g/mol
Exact Mass484.25
IUPAC Name1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea
SMILESCCc1ccccc1-n1c(C(C)N(CCOC)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O
InChIInChI=1S/C29H32N4O3/c1-5-22-12-6-9-16-26(22)33-27(31-25-15-8-7-14-24(25)28(33)34)21(3)32(17-18-36-4)29(35)30-23-13-10-11-20(2)19-23/h6-16,19,21H,5,17-18H2,1-4H3,(H,30,35)
InChIKeyITSPQZKOQZRRTM-UHFFFAOYSA-N
XLogP5.50
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.60
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methyl-3-(3-methylphenyl)urea
CID 42721579
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methoxyphenyl)-1-(3-methylbutyl)urea
CID 3985604
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-methylphenyl)-1-propylurea
CID 3540139
3-(4-bromophenyl)-1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)urea
CID 42719884
3-(4-bromophenyl)-1-(2-methoxyethyl)-1-[1-[3-(2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42723309
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[1-(4-oxo-3-phenylquinazolin-2-yl)ethyl]urea
CID 42715557
1-[1-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(3-methoxypropyl)urea
CID 42728881
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)-2-phenoxyacetamide
CID 42721390
1-[1-[3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(3-fluorophenyl)-1-(2-methoxyethyl)urea
CID 42715522
N-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-(2-methoxyethyl)heptanamide
CID 42721398
3-(3-chlorophenyl)-1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-methylurea
CID 42721577
1-[1-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]propyl]-1-(3-methylbutyl)-3-(3-methylphenyl)urea
CID 42717545

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea?
The IUPAC name of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea (CID 42721295) is 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea is CCc1ccccc1-n1c(C(C)N(CCOC)C(=O)Nc2cccc(C)c2)nc2ccccc2c1=O.
What is the InChIKey of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea?
The InChIKey is ITSPQZKOQZRRTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-5-22-12-6-9-16-26(22)33-27(31-25-15-8-7-14-24(25)28(33)34)21(3)32(17-18-36-4)29(35)30-23-13-10-11-20(2)19-23/h6-16,19,21H,5,17-18H2,1-4H3,(H,30,35).
What are the key properties of 1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea?
1-[1-[3-(2-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea has a molecular weight of 484.60 g/mol, XLogP of 5.50, 8 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]-1-(2-methoxyethyl)-3-(3-methylphenyl)urea is sourced from PubChem (CID 42721295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).