1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea

C20H20N4O4 — CID 162429447

IUPAC1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
SMILESCOCCn1cnc2cc(NC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)14-3-5-15(6-4-14)22-20(27)23-16-7-8-17-18(11-16)21-12-24(19(17)26)9-10-28-2/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,27)
InChIKeyRDLMUNQJMLMNCB-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.89
Rot. Bonds6

About 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea

1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea (PubChem CID 162429447) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
PubChem CID162429447
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea
SMILESCOCCn1cnc2cc(NC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1=O
InChIInChI=1S/C20H20N4O4/c1-13(25)14-3-5-15(6-4-14)22-20(27)23-16-7-8-17-18(11-16)21-12-24(19(17)26)9-10-28-2/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,27)
InChIKeyRDLMUNQJMLMNCB-UHFFFAOYSA-N
XLogP2.89
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
CID 162429400
1-(4-acetylphenyl)-3-(3-ethyl-4-oxoquinazolin-6-yl)urea
CID 162429338
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
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
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
4-oxo-3-propylquinazoline-7-carbohydrazide
CID 66485394
3-(2-hydroxyethyl)-7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-one
CID 126898641
N-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 71826913
methyl 4-[3-(6,7-dimethoxy-4-oxoquinazolin-3-yl)propanoylamino]benzoate
CID 39377823
N-(4-acetylphenyl)-3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanamide
CID 25399169

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea (CID 162429447) is 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea is COCCn1cnc2cc(NC(=O)Nc3ccc(C(C)=O)cc3)ccc2c1=O.
What is the InChIKey of 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea?
The InChIKey is RDLMUNQJMLMNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-13(25)14-3-5-15(6-4-14)22-20(27)23-16-7-8-17-18(11-16)21-12-24(19(17)26)9-10-28-2/h3-8,11-12H,9-10H2,1-2H3,(H2,22,23,27).
What are the key properties of 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea?
1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea has a molecular weight of 380.40 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[3-(2-methoxyethyl)-4-oxoquinazolin-7-yl]urea is sourced from PubChem (CID 162429447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).