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

C20H16N4O2S — CID 8700023

IUPAC1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccs1
InChIInChI=1S/C20H16N4O2S/c25-19(21-14-7-2-1-3-8-14)23-18-16-10-4-5-11-17(16)22-20(26)24(18)13-15-9-6-12-27-15/h1-12H,13H2,(H2,21,23,25)
InChIKeyJWKUHRRGTVQEJY-UHFFFAOYSA-N
MW376.44 g/mol
LogP4.15
Rot. Bonds4

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

1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea (PubChem CID 8700023) has the molecular formula C20H16N4O2S and a molecular weight of 376.44 g/mol. Its IUPAC name is 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
PubChem CID8700023
Molecular FormulaC20H16N4O2S
Molecular Weight376.44 g/mol
Exact Mass376.10
IUPAC Name1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccs1
InChIInChI=1S/C20H16N4O2S/c25-19(21-14-7-2-1-3-8-14)23-18-16-10-4-5-11-17(16)22-20(26)24(18)13-15-9-6-12-27-15/h1-12H,13H2,(H2,21,23,25)
InChIKeyJWKUHRRGTVQEJY-UHFFFAOYSA-N
XLogP4.15
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(4-methoxyphenyl)methyl]-2-oxoquinazolin-4-yl]-3-phenylurea
CID 18585014
1-[2-oxo-3-(pyridin-3-ylmethyl)quinazolin-4-yl]-3-phenylurea
CID 18585029
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410355
1-(2-fluorophenyl)-3-[3-[(4-fluorophenyl)methyl]-2-oxoquinazolin-4-yl]urea
CID 18585010
1-(4-fluorophenyl)-3-[3-[2-(4-methoxyphenyl)ethyl]-2-oxoquinazolin-4-yl]urea
CID 18585063
N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
N-butyl-2-[4-oxo-3-(thiophen-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4613009
N-phenyl-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 17185519
2-(2-oxo-4-phenylquinazolin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20963084
N-phenyl-6-(thiophen-2-ylmethyl)-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepine-2-carboxamide
CID 134807442
4-oxo-3-(thiophen-2-ylmethyl)phthalazine-1-carboxylic acid
CID 43565120
N-(4-cyanophenyl)-2-[4-oxo-3-(2-thiophen-2-ylethyl)quinazolin-2-yl]sulfanylacetamide
CID 46925721

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The IUPAC name of 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea (CID 8700023) is 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)Nc1c2ccccc2nc(=O)n1Cc1cccs1.
What is the InChIKey of 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea?
The InChIKey is JWKUHRRGTVQEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O2S/c25-19(21-14-7-2-1-3-8-14)23-18-16-10-4-5-11-17(16)22-20(26)24(18)13-15-9-6-12-27-15/h1-12H,13H2,(H2,21,23,25).
What are the key properties of 1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea?
1-[2-oxo-3-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea has a molecular weight of 376.44 g/mol, XLogP of 4.15, 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-(thiophen-2-ylmethyl)quinazolin-4-yl]-3-phenylurea is sourced from PubChem (CID 8700023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).