1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea

C21H17N5O2 — CID 18585029

IUPAC1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccnc1
InChIInChI=1S/C21H17N5O2/c27-20(23-16-8-2-1-3-9-16)25-19-17-10-4-5-11-18(17)24-21(28)26(19)14-15-7-6-12-22-13-15/h1-13H,14H2,(H2,23,25,27)
InChIKeyZONHBAOVSSMILQ-UHFFFAOYSA-N
MW371.40 g/mol
LogP3.48
Rot. Bonds4

About 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea

1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea (PubChem CID 18585029) has the molecular formula C21H17N5O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
PubChem CID18585029
Molecular FormulaC21H17N5O2
Molecular Weight371.40 g/mol
Exact Mass371.14
IUPAC Name1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccnc1
InChIInChI=1S/C21H17N5O2/c27-20(23-16-8-2-1-3-9-16)25-19-17-10-4-5-11-18(17)24-21(28)26(19)14-15-7-6-12-22-13-15/h1-13H,14H2,(H2,23,25,27)
InChIKeyZONHBAOVSSMILQ-UHFFFAOYSA-N
XLogP3.48
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 8700023
1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585010
azane;1-phenyl-3-(pyridin-3-ylmethyl)urea
CID 175504411
2-[[2-oxo-1-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]-N-phenylacetamide
CID 7192092
1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
CID 18585063
2-[4-oxo-3-(pyridin-3-ylmethyl)quinazolin-2-yl]sulfanyl-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 27947366
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410355
N-benzyl-2-[[2-oxo-1-(pyridin-3-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]sulfanyl]acetamide
CID 43995588
2-ethyl-6-methyl-4-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 23040065
4-acetamido-2-methyl-6-oxo-N-phenyl-1-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 91310443
1-phenyl-3-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]urea
CID 113027801
2-[4,6-dimethyl-2-oxo-1-(pyridin-3-ylmethyl)pyrimidin-5-yl]propanoic acid
CID 62096203

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The IUPAC name of 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea (CID 18585029) is 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccnc1.
What is the InChIKey of 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The InChIKey is ZONHBAOVSSMILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O2/c27-20(23-16-8-2-1-3-9-16)25-19-17-10-4-5-11-18(17)24-21(28)26(19)14-15-7-6-12-22-13-15/h1-13H,14H2,(H2,23,25,27).
What are the key properties of 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea?
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea has a molecular weight of 371.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea is sourced from PubChem (CID 18585029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).