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

C27H28N4O2 — CID 42718248

IUPAC1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C27H28N4O2/c1-5-30(27(33)29-22-15-9-6-12-18(22)2)20(4)25-28-23-16-10-8-14-21(23)26(32)31(25)24-17-11-7-13-19(24)3/h6-17,20H,5H2,1-4H3,(H,29,33)
InChIKeySBJYUCOXYNLSGN-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.62
Rot. Bonds5

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

1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (PubChem CID 42718248) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
PubChem CID42718248
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
SMILESCCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C
InChIInChI=1S/C27H28N4O2/c1-5-30(27(33)29-22-15-9-6-12-18(22)2)20(4)25-28-23-16-10-8-14-21(23)26(32)31(25)24-17-11-7-13-19(24)3/h6-17,20H,5H2,1-4H3,(H,29,33)
InChIKeySBJYUCOXYNLSGN-UHFFFAOYSA-N
XLogP5.62
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 ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718557
3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718560
1-[1-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-ethyl-3-(2-methoxyphenyl)urea
CID 42720578
3-(2-methoxyphenyl)-1-methyl-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea
CID 42718203
N-ethyl-2-fluoro-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718224
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
4-tert-butyl-N-ethyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718225
1-butyl-1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-3-(2-methylphenyl)urea
CID 4007420
3-(2-methylphenyl)-1-[1-[3-(3-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(2-methylpropyl)urea
CID 42718299
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]propyl]-1-ethyl-3-(2-methylphenyl)urea
CID 4301001
N-butyl-2-methyl-N-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]benzamide
CID 42718979
1-[1-[3-(3,4-dimethylphenyl)-4-oxoquinazolin-2-yl]ethyl]-1-(furan-2-ylmethyl)-3-(2-methylphenyl)urea
CID 3903105

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The IUPAC name of 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea (CID 42718248) is 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea.
What is the SMILES notation for 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The canonical SMILES for 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is CCN(C(=O)Nc1ccccc1C)C(C)c1nc2ccccc2c(=O)n1-c1ccccc1C.
What is the InChIKey of 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
The InChIKey is SBJYUCOXYNLSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-5-30(27(33)29-22-15-9-6-12-18(22)2)20(4)25-28-23-16-10-8-14-21(23)26(32)31(25)24-17-11-7-13-19(24)3/h6-17,20H,5H2,1-4H3,(H,29,33).
What are the key properties of 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea?
1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea has a molecular weight of 440.55 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-methylphenyl)-1-[1-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea is sourced from PubChem (CID 42718248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).