4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile

C17H11ClN4O — CID 171356133

IUPAC4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)cc1
InChIInChI=1S/C17H11ClN4O/c18-16-12(11-3-1-10(7-19)2-4-11)5-6-14-13(16)8-22-9-15(23)21-17(22)20-14/h1-6H,8-9H2,(H,20,21,23)
InChIKeyQJTCJNHBIGEMKW-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.81
Rot. Bonds1

About 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile

4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile (PubChem CID 171356133) has the molecular formula C17H11ClN4O and a molecular weight of 322.76 g/mol. Its IUPAC name is 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile.

Molecular Properties

Compound Name4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile
PubChem CID171356133
Molecular FormulaC17H11ClN4O
Molecular Weight322.76 g/mol
Exact Mass322.06
IUPAC Name4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile
SMILESN#Cc1ccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)cc1
InChIInChI=1S/C17H11ClN4O/c18-16-12(11-3-1-10(7-19)2-4-11)5-6-14-13(16)8-22-9-15(23)21-17(22)20-14/h1-6H,8-9H2,(H,20,21,23)
InChIKeyQJTCJNHBIGEMKW-UHFFFAOYSA-N
XLogP2.81
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile?
The IUPAC name of 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile (CID 171356133) is 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile.
What is the SMILES notation for 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile?
The canonical SMILES for 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile is N#Cc1ccc(-c2ccc3c(c2Cl)CN2CC(=O)NC2=N3)cc1.
What is the InChIKey of 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile?
The InChIKey is QJTCJNHBIGEMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O/c18-16-12(11-3-1-10(7-19)2-4-11)5-6-14-13(16)8-22-9-15(23)21-17(22)20-14/h1-6H,8-9H2,(H,20,21,23).
What are the key properties of 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile?
4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile has a molecular weight of 322.76 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile is sourced from PubChem (CID 171356133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).