[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea

C17H14N4O3 — CID 32762513

IUPAC[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N4O3/c18-17(24)20-12-7-5-11(6-8-12)15(22)9-21-10-19-14-4-2-1-3-13(14)16(21)23/h1-8,10H,9H2,(H3,18,20,24)
InChIKeyJIQLLYGMDQLJCV-UHFFFAOYSA-N
MW322.32 g/mol
LogP1.77
Rot. Bonds4

About [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea

[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea (PubChem CID 32762513) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea.

Molecular Properties

Compound Name[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
PubChem CID32762513
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea
SMILESNC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1
InChIInChI=1S/C17H14N4O3/c18-17(24)20-12-7-5-11(6-8-12)15(22)9-21-10-19-14-4-2-1-3-13(14)16(21)23/h1-8,10H,9H2,(H3,18,20,24)
InChIKeyJIQLLYGMDQLJCV-UHFFFAOYSA-N
XLogP1.77
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea?
The IUPAC name of [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea (CID 32762513) is [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea.
What is the SMILES notation for [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea?
The canonical SMILES for [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea is NC(=O)Nc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1.
What is the InChIKey of [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea?
The InChIKey is JIQLLYGMDQLJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3/c18-17(24)20-12-7-5-11(6-8-12)15(22)9-21-10-19-14-4-2-1-3-13(14)16(21)23/h1-8,10H,9H2,(H3,18,20,24).
What are the key properties of [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea?
[4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea has a molecular weight of 322.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-oxoquinazolin-3-yl)acetyl]phenyl]urea is sourced from PubChem (CID 32762513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).