2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide

C23H31N3O2 — CID 70838370

IUPAC2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(CC1CCCCCC1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H31N3O2/c27-21(16-17-10-4-1-2-5-11-17)25-26-22(18-12-6-3-7-13-18)24-20-15-9-8-14-19(20)23(26)28/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,25,27)
InChIKeyMMFOIUXHRUTRQZ-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.87
Rot. Bonds4

About 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide

2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 70838370) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound Name2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID70838370
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
SMILESO=C(CC1CCCCCC1)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C23H31N3O2/c27-21(16-17-10-4-1-2-5-11-17)25-26-22(18-12-6-3-7-13-18)24-20-15-9-8-14-19(20)23(26)28/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,25,27)
InChIKeyMMFOIUXHRUTRQZ-UHFFFAOYSA-N
XLogP4.87
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 23988003
2-cyclopentyl-N-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(3-fluorophenyl)acetamide
CID 70838371
1-benzyl-3-(2-cyclohexyl-4-oxoquinazolin-3-yl)urea
CID 70838562
N-[2-(2-amino-2-oxoethyl)sulfanyl-4-oxoquinazolin-3-yl]-2-cyclopentylacetamide
CID 70875395
4-tert-butyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)benzamide
CID 23762494
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)pyridine-3-carboxamide
CID 43816389
N-(2-cyclobutyl-4-oxoquinazolin-3-yl)-2-ethoxybenzamide
CID 650215
2-cyclopentyl-N'-(3-ethyl-4-oxoquinazolin-2-yl)acetohydrazide
CID 18139328
N-(2-ethyl-4-oxoquinazolin-3-yl)cycloheptanecarboxamide
CID 24823328
N-(7-chloro-2-cyclobutyl-4-oxoquinazolin-3-yl)benzamide
CID 6487223
N-(2-cyclopropyl-4-oxoquinazolin-3-yl)-3,4-dimethoxybenzamide
CID 3226460

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide (CID 70838370) is 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide is O=C(CC1CCCCCC1)Nn1c(C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is MMFOIUXHRUTRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-21(16-17-10-4-1-2-5-11-17)25-26-22(18-12-6-3-7-13-18)24-20-15-9-8-14-19(20)23(26)28/h8-9,14-15,17-18H,1-7,10-13,16H2,(H,25,27).
What are the key properties of 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide?
2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 381.52 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 70838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).