1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea

C25H24N4O3 — CID 30368597

IUPAC1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea
SMILESCOc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-15-5-11-22(16(2)13-15)28-25(31)27-18-6-12-23-21(14-18)24(30)29(17(3)26-23)19-7-9-20(32-4)10-8-19/h5-14H,1-4H3,(H2,27,28,31)
InChIKeyIXXGDOFMVJZJSJ-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.96
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea

1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea (PubChem CID 30368597) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea
PubChem CID30368597
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea
SMILESCOc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1
InChIInChI=1S/C25H24N4O3/c1-15-5-11-22(16(2)13-15)28-25(31)27-18-6-12-23-21(14-18)24(30)29(17(3)26-23)19-7-9-20(32-4)10-8-19/h5-14H,1-4H3,(H2,27,28,31)
InChIKeyIXXGDOFMVJZJSJ-UHFFFAOYSA-N
XLogP4.96
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]propanamide
CID 30368236
N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]quinoline-2-carboxamide
CID 30867464
1-(2,4-dimethylphenyl)-3-(2,3-dimethylquinoxalin-6-yl)urea
CID 108885528
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)urea
CID 6469067
N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]pyridine-3-carboxamide
CID 30867406
N-(2,4-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1131998
3-(4-methoxyphenyl)-2-methylbenzo[g]quinazolin-4-one
CID 44725647
2-methyl-N-[2-methyl-3-(4-methylphenyl)-4-oxoquinazolin-6-yl]-3-nitrobenzamide
CID 30867420
1-(4-methoxy-2-methylphenyl)-3-(3-methylphenyl)urea
CID 46860185
1-(2,4-dimethylphenyl)-3-[[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methyl]urea
CID 20928452
2,3-dichloro-N-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]benzenesulfonamide
CID 30867596
methyl 3-[(2,4-dimethylphenyl)carbamoylamino]benzoate
CID 108991298

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea (CID 30368597) is 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea is COc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea?
The InChIKey is IXXGDOFMVJZJSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-15-5-11-22(16(2)13-15)28-25(31)27-18-6-12-23-21(14-18)24(30)29(17(3)26-23)19-7-9-20(32-4)10-8-19/h5-14H,1-4H3,(H2,27,28,31).
What are the key properties of 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea?
1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea has a molecular weight of 428.49 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-[3-(4-methoxyphenyl)-2-methyl-4-oxoquinazolin-6-yl]urea is sourced from PubChem (CID 30368597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).