1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea

C19H20N4O2 — CID 18584915

IUPAC1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea
SMILESCCCn1c(NC(=O)NCc2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C19H20N4O2/c1-2-12-23-17(15-10-6-7-11-16(15)21-19(23)25)22-18(24)20-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H2,20,22,24)
InChIKeyDXAPNZJHNWNSNP-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.13
Rot. Bonds5

About 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea

1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea (PubChem CID 18584915) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea
PubChem CID18584915
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea
SMILESCCCn1c(NC(=O)NCc2ccccc2)c2ccccc2nc1=O
InChIInChI=1S/C19H20N4O2/c1-2-12-23-17(15-10-6-7-11-16(15)21-19(23)25)22-18(24)20-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H2,20,22,24)
InChIKeyDXAPNZJHNWNSNP-UHFFFAOYSA-N
XLogP3.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.13
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
4,6-diphenyl-1-propyl-2(1H)-pyrimidinone
CID 848854
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
2,4,6(1H,3H,5H)-Pyrimidinetrione, 1-(phenylmethyl)-5-[1-[[3-(1-piperidinyl)propyl]amino]ethylidene]-
CID 4860028
6-(benzylamino)-5-methyl-1H-pyrimidin-2-one
CID 70688612
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
Imidodicarbonic diamide, N-butyl-N'-(phenylmethyl)-
CID 3059265
(E)-1-(3-benzyl-2-oxo-2,3-dihydroquinazolin-4(1H)-ylidene)-3-(tert-butyl)urea
CID 18584999

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea?
The IUPAC name of 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea (CID 18584915) is 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea.
What is the SMILES notation for 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea?
The canonical SMILES for 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea is CCCn1c(NC(=O)NCc2ccccc2)c2ccccc2nc1=O.
What is the InChIKey of 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea?
The InChIKey is DXAPNZJHNWNSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-12-23-17(15-10-6-7-11-16(15)21-19(23)25)22-18(24)20-13-14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3,(H2,20,22,24).
What are the key properties of 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea?
1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea has a molecular weight of 336.40 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxo-3-propylquinazolin-4-yl)urea is sourced from PubChem (CID 18584915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).