1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea

C18H17FN4O2 — CID 70838560

IUPAC1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c1-2-16-21-15-6-4-3-5-14(15)17(24)23(16)22-18(25)20-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,22,25)
InChIKeyFGDSPVAHENZPBE-UHFFFAOYSA-N
MW340.36 g/mol
LogP2.55
Rot. Bonds4

About 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea

1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea (PubChem CID 70838560) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
PubChem CID70838560
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea
SMILESCCc1nc2ccccc2c(=O)n1NC(=O)NCc1ccc(F)cc1
InChIInChI=1S/C18H17FN4O2/c1-2-16-21-15-6-4-3-5-14(15)17(24)23(16)22-18(25)20-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,22,25)
InChIKeyFGDSPVAHENZPBE-UHFFFAOYSA-N
XLogP2.55
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-difluorophenyl)-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 70838580
(2-ethyl-4-oxoquinazolin-3-yl)thiourea
CID 12516860
N-(2-ethyl-7-fluoro-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838611
N-[2-[2-(benzylamino)-2-oxoethyl]-4-oxoquinazolin-3-yl]-2-phenylacetamide
CID 10025480
N-(2-ethyl-4-oxoquinazolin-3-yl)-2-phenylbutanamide
CID 12994903
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
CID 70838562
N-[(2-chloro-4-fluorophenyl)methyl]-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 45030864
N-[(4-fluorophenyl)methyl]-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 9329634
N-[2-[2-(benzylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]-4-fluorobenzamide
CID 3580564

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The IUPAC name of 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea (CID 70838560) is 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The canonical SMILES for 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea is CCc1nc2ccccc2c(=O)n1NC(=O)NCc1ccc(F)cc1.
What is the InChIKey of 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea?
The InChIKey is FGDSPVAHENZPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c1-2-16-21-15-6-4-3-5-14(15)17(24)23(16)22-18(25)20-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3,(H2,20,22,25).
What are the key properties of 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea?
1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea has a molecular weight of 340.36 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-oxoquinazolin-3-yl)-3-[(4-fluorophenyl)methyl]urea is sourced from PubChem (CID 70838560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).