N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide

C17H16Cl2N4O2 — CID 7875343

IUPACN-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESN#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCC1
InChIInChI=1S/C17H16Cl2N4O2/c18-11-6-12-15(13(19)7-11)21-10-23(16(12)25)8-14(24)22-17(9-20)4-2-1-3-5-17/h6-7,10H,1-5,8H2,(H,22,24)
InChIKeyXZRUFQXBTLIWCA-UHFFFAOYSA-N
MW379.25 g/mol
LogP3.05
Rot. Bonds3

About N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide

N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 7875343) has the molecular formula C17H16Cl2N4O2 and a molecular weight of 379.25 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
PubChem CID7875343
Molecular FormulaC17H16Cl2N4O2
Molecular Weight379.25 g/mol
Exact Mass378.07
IUPAC NameN-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide
SMILESN#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCC1
InChIInChI=1S/C17H16Cl2N4O2/c18-11-6-12-15(13(19)7-11)21-10-23(16(12)25)8-14(24)22-17(9-20)4-2-1-3-5-17/h6-7,10H,1-5,8H2,(H,22,24)
InChIKeyXZRUFQXBTLIWCA-UHFFFAOYSA-N
XLogP3.05
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide (CID 7875343) is N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is N#CC1(NC(=O)Cn2cnc3c(Cl)cc(Cl)cc3c2=O)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is XZRUFQXBTLIWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O2/c18-11-6-12-15(13(19)7-11)21-10-23(16(12)25)8-14(24)22-17(9-20)4-2-1-3-5-17/h6-7,10H,1-5,8H2,(H,22,24).
What are the key properties of N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide?
N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 379.25 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-(6,8-dichloro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 7875343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).