1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea

C19H18N4O3 — CID 162429338

IUPAC1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
SMILESCCn1cnc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc2c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-11-20-17-9-8-15(10-16(17)18(23)25)22-19(26)21-14-6-4-13(5-7-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26)
InChIKeyORISTNOEFJKRCE-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.26
Rot. Bonds4

About 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea

1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea (PubChem CID 162429338) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
PubChem CID162429338
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
SMILESCCn1cnc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc2c1=O
InChIInChI=1S/C19H18N4O3/c1-3-23-11-20-17-9-8-15(10-16(17)18(23)25)22-19(26)21-14-6-4-13(5-7-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26)
InChIKeyORISTNOEFJKRCE-UHFFFAOYSA-N
XLogP3.26
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
CID 162429447
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
3-ethyl-6-methylquinazolin-4-one
CID 70641598
N-cyclopropyl-3-ethyl-4-oxoquinazoline-6-carboxamide
CID 53015892
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-(3-methoxyphenyl)urea
CID 162429378
1-(3-chloro-4-fluorophenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]urea
CID 162429270
3,5-dimethyl-N-[3-(2-methylpropyl)-4-oxoquinazolin-6-yl]-1,2-oxazole-4-carboxamide
CID 71708909
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169
4-[[2-(6-iodo-4-oxoquinazolin-3-yl)acetyl]amino]benzamide
CID 5020316
N-(3-benzyl-4-oxoquinazolin-6-yl)-2-hydroxyacetamide
CID 25155077

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea (CID 162429338) is 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea is CCn1cnc2ccc(NC(=O)Nc3ccc(C(C)=O)cc3)cc2c1=O.
What is the InChIKey of 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
The InChIKey is ORISTNOEFJKRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-3-23-11-20-17-9-8-15(10-16(17)18(23)25)22-19(26)21-14-6-4-13(5-7-14)12(2)24/h4-11H,3H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea?
1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea has a molecular weight of 350.38 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea is sourced from PubChem (CID 162429338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).