1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea

C20H22N4O2 — CID 18584999

IUPAC1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1c2ccccc2nc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)23-18(25)22-17-15-11-7-8-12-16(15)21-19(26)24(17)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H2,22,23,25)
InChIKeyQWGQWWFBEGLXIH-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.36
Rot. Bonds3

About 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea

1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea (PubChem CID 18584999) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea
PubChem CID18584999
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1c2ccccc2nc(=O)n1Cc1ccccc1
InChIInChI=1S/C20H22N4O2/c1-20(2,3)23-18(25)22-17-15-11-7-8-12-16(15)21-19(26)24(17)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H2,22,23,25)
InChIKeyQWGQWWFBEGLXIH-UHFFFAOYSA-N
XLogP3.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Benzyl-5-[1-(2-dimethylamino-ethylamino)-eth-(E)-ylidene]-pyrimidine-2,4,6-trione
CID 935858
2-[(4-benzylpiperazino)methyl]-2,6-dihydroimidazo[1,2-c]quinazolin-5(3H)-one
CID 2768866
2-[[(1-benzylpiperidin-4-yl)amino]methyl]-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-one
CID 135848145
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 4,7-diphenyl-3-ethyl-5-methyl-, hydrochloride
CID 3046300
(5E)-3-benzyl-5-[1-(hexylamino)ethylidene]-6-hydroxypyrimidine-2,4(3H,5H)-dione
CID 3811837
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,5-dimethyl-7-phenyl-, hydrochloride, hemihydrate
CID 3054113
1H-Pyrrolo(3,4-d)pyrimidin-2(3H)-one, 1,3-diethyl-4,7-diphenyl-5-methyl-, hydrochloride
CID 3054115
(E)-1-benzyl-3-(2-oxo-3-propyl-2,3-dihydroquinazolin-4(1H)-ylidene)urea
CID 18584915
(E)-1-(3-benzyl-2-oxo-2,3-dihydroquinazolin-4(1H)-ylidene)-3-phenylurea
CID 18584997
Pteridine, 8-benzyl-3-ethyl-3,4,7,8-tetrahydro-2-hydroxy-6,7-dimethyl-
CID 171384378
Pteridine, 8-benzyl-7,8-dihydro-2,4-dihydroxy-6,7-dimethyl-
CID 171384406
Pteridine, 8-benzyl-3,4,7,8-tetrahydro-2-hydroxy-3,6,7-trimethyl-4-oxo-
CID 171384451

Frequently Asked Questions

What is the IUPAC name of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea?
The IUPAC name of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea (CID 18584999) is 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea?
The canonical SMILES for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea is CC(C)(C)NC(=O)Nc1c2ccccc2nc(=O)n1Cc1ccccc1.
What is the InChIKey of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea?
The InChIKey is QWGQWWFBEGLXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,3)23-18(25)22-17-15-11-7-8-12-16(15)21-19(26)24(17)13-14-9-5-4-6-10-14/h4-12H,13H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea?
1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea has a molecular weight of 350.42 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-benzyl-2-oxoquinazolin-4-yl)-3-tert-butylurea is sourced from PubChem (CID 18584999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).