1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea

C20H24N4O2 — CID 170748426

IUPAC1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc2c(c1)CNC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)23-18(25)22-16-9-10-17-15(11-16)12-21-19(26)24(17)13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,21,26)(H2,22,23,25)
InChIKeyLYASNTMBZMBUOH-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.84
Rot. Bonds3

About 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea

1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea (PubChem CID 170748426) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea.

Molecular Properties

Compound Name1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea
PubChem CID170748426
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea
SMILESCC(C)(C)NC(=O)Nc1ccc2c(c1)CNC(=O)N2Cc1ccccc1
InChIInChI=1S/C20H24N4O2/c1-20(2,3)23-18(25)22-16-9-10-17-15(11-16)12-21-19(26)24(17)13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,21,26)(H2,22,23,25)
InChIKeyLYASNTMBZMBUOH-UHFFFAOYSA-N
XLogP3.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzyl-3-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-tert-butylurea
CID 170748563
1-tert-butyl-3-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroquinolin-6-yl]urea
CID 170748606
1-tert-butyl-3-[3-methyl-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-4H-quinazolin-6-yl]urea
CID 170748779
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3,3-dimethylbutanamide
CID 16926905
1-tert-butyl-3-[4-[(3-methylphenyl)methyl]-3-oxo-1,4-benzoxazin-7-yl]urea
CID 170748157
1-benzyl-6-nitro-3,4-dihydroquinazolin-2-one
CID 170748618
1-benzyl-6-[4-(trifluoromethyl)phenyl]-3,4-dihydroquinazolin-2-one
CID 12000846
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(3,4-dichlorophenyl)urea
CID 30376488
1-tert-butyl-3-[2-oxo-1-(1-phenylpropyl)-3,4-dihydroquinolin-6-yl]urea
CID 170748322
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-ethylbutanamide
CID 16926863
1-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-3-(2-ethoxyphenyl)urea
CID 30376599
N-(1-benzyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-(4-fluorophenyl)acetamide
CID 16926873

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea?
The IUPAC name of 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea (CID 170748426) is 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea.
What is the SMILES notation for 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea?
The canonical SMILES for 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea is CC(C)(C)NC(=O)Nc1ccc2c(c1)CNC(=O)N2Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea?
The InChIKey is LYASNTMBZMBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-20(2,3)23-18(25)22-16-9-10-17-15(11-16)12-21-19(26)24(17)13-14-7-5-4-6-8-14/h4-11H,12-13H2,1-3H3,(H,21,26)(H2,22,23,25).
What are the key properties of 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea?
1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea has a molecular weight of 352.44 g/mol, XLogP of 3.84, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-oxo-3,4-dihydroquinazolin-6-yl)-3-tert-butylurea is sourced from PubChem (CID 170748426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).