1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea

C18H18N4O3 — CID 162429400

IUPAC1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccccc3)cc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-10-9-22-12-19-16-8-7-14(11-15(16)17(22)23)21-18(24)20-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,20,21,24)
InChIKeyZZZGALNLPKVLLD-UHFFFAOYSA-N
MW338.37 g/mol
LogP2.69
Rot. Bonds5

About 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea

1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea (PubChem CID 162429400) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
PubChem CID162429400
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea
SMILESCOCCn1cnc2ccc(NC(=O)Nc3ccccc3)cc2c1=O
InChIInChI=1S/C18H18N4O3/c1-25-10-9-22-12-19-16-8-7-14(11-15(16)17(22)23)21-18(24)20-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,20,21,24)
InChIKeyZZZGALNLPKVLLD-UHFFFAOYSA-N
XLogP2.69
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea?
The IUPAC name of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea (CID 162429400) is 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea.
What is the SMILES notation for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea?
The canonical SMILES for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea is COCCn1cnc2ccc(NC(=O)Nc3ccccc3)cc2c1=O.
What is the InChIKey of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea?
The InChIKey is ZZZGALNLPKVLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-25-10-9-22-12-19-16-8-7-14(11-15(16)17(22)23)21-18(24)20-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H2,20,21,24).
What are the key properties of 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea?
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea has a molecular weight of 338.37 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-phenylurea is sourced from PubChem (CID 162429400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).