1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea

C15H11N5O4 — CID 18961883

IUPAC1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C15H11N5O4/c21-14-12-3-1-2-4-13(12)16-9-19(14)18-15(22)17-10-5-7-11(8-6-10)20(23)24/h1-9H,(H2,17,18,22)
InChIKeyKZZUURDRRYGSKO-UHFFFAOYSA-N
MW325.28 g/mol
LogP2.08
Rot. Bonds3

About 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea

1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea (PubChem CID 18961883) has the molecular formula C15H11N5O4 and a molecular weight of 325.28 g/mol. Its IUPAC name is 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea.

Molecular Properties

Compound Name1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
PubChem CID18961883
Molecular FormulaC15H11N5O4
Molecular Weight325.28 g/mol
Exact Mass325.08
IUPAC Name1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc2c1=O
InChIInChI=1S/C15H11N5O4/c21-14-12-3-1-2-4-13(12)16-9-19(14)18-15(22)17-10-5-7-11(8-6-10)20(23)24/h1-9H,(H2,17,18,22)
InChIKeyKZZUURDRRYGSKO-UHFFFAOYSA-N
XLogP2.08
TPSA119.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.28
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-nitrophenyl)-6-(4-oxoquinazolin-3-yl)hexanamide
CID 4904289
1-N,2-N-bis(4-oxoquinazolin-3-yl)cyclopropane-1,2-dicarboxamide
CID 166206906
3-[(Z)-(4-nitrophenyl)methylideneamino]quinazolin-4-one
CID 6304404
N-(4-oxoquinazolin-3-yl)pentanamide
CID 27757903
4-fluoro-N-(4-oxoquinazolin-3-yl)benzamide
CID 3691109
1-naphthalen-1-yl-3-(4-nitrophenyl)urea
CID 5086557
1-imidazo[4,5-b]pyridin-3-yl-3-phenylurea
CID 134121029
1-(naphthalen-1-ylmethyl)-3-(4-nitrophenyl)urea
CID 112840095
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-(4-oxoquinazolin-3-yl)propanamide
CID 134061354
1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
2-(6-chloro-4-oxoquinazolin-3-yl)-N-(4-nitrophenyl)acetamide
CID 8536853
3-[(4-nitrophenyl)carbamoylamino]quinoxaline-2-carboxylic acid
CID 22503786

Frequently Asked Questions

What is the IUPAC name of 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The IUPAC name of 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea (CID 18961883) is 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea.
What is the SMILES notation for 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The canonical SMILES for 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea is O=C(Nc1ccc([N+](=O)[O-])cc1)Nn1cnc2ccccc2c1=O.
What is the InChIKey of 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea?
The InChIKey is KZZUURDRRYGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O4/c21-14-12-3-1-2-4-13(12)16-9-19(14)18-15(22)17-10-5-7-11(8-6-10)20(23)24/h1-9H,(H2,17,18,22).
What are the key properties of 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea?
1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea has a molecular weight of 325.28 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-nitrophenyl)-3-(4-oxoquinazolin-3-yl)urea is sourced from PubChem (CID 18961883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).