N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

C24H22N4O4 — CID 23988003

IUPACN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H22N4O4/c29-20(14-27-22(30)16-10-4-5-11-17(16)23(27)31)26-28-21(15-8-2-1-3-9-15)25-19-13-7-6-12-18(19)24(28)32/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,29)
InChIKeyCPPYYMRKBTZELI-UHFFFAOYSA-N
MW430.46 g/mol
LogP2.81
Rot. Bonds4

About N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide

N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 23988003) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID23988003
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC NameN-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)Nn1c(C2CCCCC2)nc2ccccc2c1=O
InChIInChI=1S/C24H22N4O4/c29-20(14-27-22(30)16-10-4-5-11-17(16)23(27)31)26-28-21(15-8-2-1-3-9-15)25-19-13-7-6-12-18(19)24(28)32/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,29)
InChIKeyCPPYYMRKBTZELI-UHFFFAOYSA-N
XLogP2.81
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-cycloheptyl-N-(2-cyclohexyl-4-oxoquinazolin-3-yl)acetamide
CID 70838370
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
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-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 24823326
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
2-[4-(4-methoxyphenyl)piperidin-1-yl]-N-[4-oxo-2-(phenoxymethyl)quinazolin-3-yl]acetamide
CID 169489488
N-[2-(cycloheptylamino)ethyl]-2-(1,3-dioxoisoindol-2-yl)acetamide;hydrochloride
CID 119620644

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 23988003) is N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)Nn1c(C2CCCCC2)nc2ccccc2c1=O.
What is the InChIKey of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is CPPYYMRKBTZELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c29-20(14-27-22(30)16-10-4-5-11-17(16)23(27)31)26-28-21(15-8-2-1-3-9-15)25-19-13-7-6-12-18(19)24(28)32/h4-7,10-13,15H,1-3,8-9,14H2,(H,26,29).
What are the key properties of N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 430.46 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyl-4-oxoquinazolin-3-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 23988003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).