1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea

C21H22N4O3 — CID 41410355

IUPAC1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
SMILESCc1ccc(NC(=O)Nc2c3ccccc3nc(=O)n2C[C@H]2CCCO2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-8-10-15(11-9-14)22-20(26)24-19-17-6-2-3-7-18(17)23-21(27)25(19)13-16-5-4-12-28-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H2,22,24,26)/t16-/m1/s1
InChIKeyQRINDYJZFOAQLC-MRXNPFEDSA-N
MW378.43 g/mol
LogP3.53
Rot. Bonds4

About 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea

1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea (PubChem CID 41410355) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
PubChem CID41410355
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
SMILESCc1ccc(NC(=O)Nc2c3ccccc3nc(=O)n2C[C@H]2CCCO2)cc1
InChIInChI=1S/C21H22N4O3/c1-14-8-10-15(11-9-14)22-20(26)24-19-17-6-2-3-7-18(17)23-21(27)25(19)13-16-5-4-12-28-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H2,22,24,26)/t16-/m1/s1
InChIKeyQRINDYJZFOAQLC-MRXNPFEDSA-N
XLogP3.53
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea with MolForge

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Related Compounds

1-(3-methylphenyl)-3-[2-oxo-3-(oxolan-2-ylmethyl)quinazolin-4-yl]urea
CID 18584986
1-(2,6-difluorophenyl)-3-[2-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410360
1-(2-methoxyphenyl)-3-[2-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-4-yl]urea
CID 41410358
N-[(4-methylphenyl)methyl]-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515362
N-(3,5-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7515487
N-(3,5-dimethylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 4020756
N-(3,4-dimethylphenyl)-2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 7031260
ethyl 4-[[2-[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetyl]amino]benzoate
CID 1148940
N-(4-chlorophenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 1155469
N-(2-methylphenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide
CID 3169104
N-(4-methylphenyl)-2-[[6-oxo-5-[[(2R)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-4-yl]sulfanyl]acetamide
CID 94071192
methyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate
CID 3169105

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea?
The IUPAC name of 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea (CID 41410355) is 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea.
What is the SMILES notation for 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea?
The canonical SMILES for 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea is Cc1ccc(NC(=O)Nc2c3ccccc3nc(=O)n2C[C@H]2CCCO2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea?
The InChIKey is QRINDYJZFOAQLC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-8-10-15(11-9-14)22-20(26)24-19-17-6-2-3-7-18(17)23-21(27)25(19)13-16-5-4-12-28-16/h2-3,6-11,16H,4-5,12-13H2,1H3,(H2,22,24,26)/t16-/m1/s1.
What are the key properties of 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea?
1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea has a molecular weight of 378.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-[2-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-yl]urea is sourced from PubChem (CID 41410355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).