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

C25H29FN4O2 — CID 42712768

IUPAC1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCCn1c(C(C)N(C(=O)Nc2ccccc2F)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C25H29FN4O2/c1-3-29-23(27-21-15-9-7-13-19(21)24(29)31)17(2)30(18-11-5-4-6-12-18)25(32)28-22-16-10-8-14-20(22)26/h7-10,13-18H,3-6,11-12H2,1-2H3,(H,28,32)
InChIKeyYVCDVHPNUYMXME-UHFFFAOYSA-N
MW436.53 g/mol
LogP5.48
Rot. Bonds5

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

1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea (PubChem CID 42712768) has the molecular formula C25H29FN4O2 and a molecular weight of 436.53 g/mol. Its IUPAC name is 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea
PubChem CID42712768
Molecular FormulaC25H29FN4O2
Molecular Weight436.53 g/mol
Exact Mass436.23
IUPAC Name1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea
SMILESCCn1c(C(C)N(C(=O)Nc2ccccc2F)C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C25H29FN4O2/c1-3-29-23(27-21-15-9-7-13-19(21)24(29)31)17(2)30(18-11-5-4-6-12-18)25(32)28-22-16-10-8-14-20(22)26/h7-10,13-18H,3-6,11-12H2,1-2H3,(H,28,32)
InChIKeyYVCDVHPNUYMXME-UHFFFAOYSA-N
XLogP5.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(6-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)-1-methylurea
CID 42715157
3-(2,4-difluorophenyl)-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-1-(3-methylbutyl)urea
CID 42717811
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methoxyethyl)cyclopentanecarboxamide
CID 42711727
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(3-methoxypropyl)cyclohexanecarboxamide
CID 42729093
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-2-fluoro-N-(3-methylbutyl)benzamide
CID 42717672
3-(2,4-difluorophenyl)-1-[2-(dimethylamino)ethyl]-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]urea
CID 42714472
1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-3-(2-methylphenyl)urea
CID 42712646
3-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)propyl]-1-hexylurea
CID 42713137
N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-methylpropyl)butanamide
CID 42711613
3-(3-bromophenyl)-1-ethyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]urea
CID 42712600
4-[1-(3-benzyl-4-oxoquinazolin-2-yl)ethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 42719605
N-ethyl-N-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]naphthalene-1-carboxamide
CID 42711742

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The IUPAC name of 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea (CID 42712768) is 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea.
What is the SMILES notation for 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The canonical SMILES for 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea is CCn1c(C(C)N(C(=O)Nc2ccccc2F)C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea?
The InChIKey is YVCDVHPNUYMXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O2/c1-3-29-23(27-21-15-9-7-13-19(21)24(29)31)17(2)30(18-11-5-4-6-12-18)25(32)28-22-16-10-8-14-20(22)26/h7-10,13-18H,3-6,11-12H2,1-2H3,(H,28,32).
What are the key properties of 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea?
1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea has a molecular weight of 436.53 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[1-(3-ethyl-4-oxoquinazolin-2-yl)ethyl]-3-(2-fluorophenyl)urea is sourced from PubChem (CID 42712768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).