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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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).