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

C22H23FN4O2 — CID 110294926

IUPAC1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
SMILESO=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C22H23FN4O2/c23-15-10-12-17(13-11-15)27-20(26-19-9-5-4-8-18(19)21(27)28)14-24-22(29)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H2,24,25,29)
InChIKeyXEANJWHOXJQBEC-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.66
Rot. Bonds4

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

1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea (PubChem CID 110294926) has the molecular formula C22H23FN4O2 and a molecular weight of 394.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
PubChem CID110294926
Molecular FormulaC22H23FN4O2
Molecular Weight394.45 g/mol
Exact Mass394.18
IUPAC Name1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea
SMILESO=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NC1CCCCC1
InChIInChI=1S/C22H23FN4O2/c23-15-10-12-17(13-11-15)27-20(26-19-9-5-4-8-18(19)21(27)28)14-24-22(29)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H2,24,25,29)
InChIKeyXEANJWHOXJQBEC-UHFFFAOYSA-N
XLogP3.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]acetamide
CID 110294904
benzyl N-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]carbamate
CID 24807791
2-[(cyclohexylamino)methyl]-3-phenylquinazolin-4-one
CID 12547467
3-cyclohexyl-1-[1-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]-1-pentylurea
CID 42718302
1-cyclohexyl-3-[(1-phenyl-4,5,6,7-tetrahydrobenzimidazol-2-yl)methyl]urea
CID 113081782
2-(azepan-1-ylmethyl)-3-(4-fluorophenyl)quinazolin-4-one
CID 991488
N-cyclohexyl-2-[3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 42658241
2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methylcyclohexyl)acetamide
CID 3476527
2-(cyclohexylcarbamoylamino)-N-[(1-methylbenzimidazol-2-yl)methyl]acetamide
CID 60542277
[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 1-acetylpyrrolidine-2-carboxylate
CID 42922268
N-cyclohexyl-2-[4-oxo-2-(piperidin-1-ylmethyl)quinazolin-3-yl]acetamide
CID 655418
N-cyclohexyl-2-[4-[1-[(4-fluorophenyl)methyl]-2,4-dioxoquinazolin-3-yl]phenyl]acetamide
CID 50762459

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea (CID 110294926) is 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea is O=C(NCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea?
The InChIKey is XEANJWHOXJQBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O2/c23-15-10-12-17(13-11-15)27-20(26-19-9-5-4-8-18(19)21(27)28)14-24-22(29)25-16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14H2,(H2,24,25,29).
What are the key properties of 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea?
1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea has a molecular weight of 394.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl]urea is sourced from PubChem (CID 110294926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).