7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one

C17H13ClN4O — CID 17456627

IUPAC7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
SMILESCc1cccn2cc(Cn3cnc4cc(Cl)ccc4c3=O)nc12
InChIInChI=1S/C17H13ClN4O/c1-11-3-2-6-21-8-13(20-16(11)21)9-22-10-19-15-7-12(18)4-5-14(15)17(22)23/h2-8,10H,9H2,1H3
InChIKeyDWZYVOJMYXUIIU-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.05
Rot. Bonds2

About 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one

7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one (PubChem CID 17456627) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
PubChem CID17456627
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
SMILESCc1cccn2cc(Cn3cnc4cc(Cl)ccc4c3=O)nc12
InChIInChI=1S/C17H13ClN4O/c1-11-3-2-6-21-8-13(20-16(11)21)9-22-10-19-15-7-12(18)4-5-14(15)17(22)23/h2-8,10H,9H2,1H3
InChIKeyDWZYVOJMYXUIIU-UHFFFAOYSA-N
XLogP3.05
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one (CID 17456627) is 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one is Cc1cccn2cc(Cn3cnc4cc(Cl)ccc4c3=O)nc12.
What is the InChIKey of 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The InChIKey is DWZYVOJMYXUIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-11-3-2-6-21-8-13(20-16(11)21)9-22-10-19-15-7-12(18)4-5-14(15)17(22)23/h2-8,10H,9H2,1H3.
What are the key properties of 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one has a molecular weight of 324.77 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 17456627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).