6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one

C17H12Cl2N4O — CID 17459984

IUPAC6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
SMILESCc1cccn2cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)nc12
InChIInChI=1S/C17H12Cl2N4O/c1-10-3-2-4-22-7-12(21-16(10)22)8-23-9-20-15-13(17(23)24)5-11(18)6-14(15)19/h2-7,9H,8H2,1H3
InChIKeyVTHUQNAZERATQW-UHFFFAOYSA-N
MW359.22 g/mol
LogP3.71
Rot. Bonds2

About 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one

6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one (PubChem CID 17459984) has the molecular formula C17H12Cl2N4O and a molecular weight of 359.22 g/mol. Its IUPAC name is 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one.

Molecular Properties

Compound Name6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
PubChem CID17459984
Molecular FormulaC17H12Cl2N4O
Molecular Weight359.22 g/mol
Exact Mass358.04
IUPAC Name6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one
SMILESCc1cccn2cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)nc12
InChIInChI=1S/C17H12Cl2N4O/c1-10-3-2-4-22-7-12(21-16(10)22)8-23-9-20-15-13(17(23)24)5-11(18)6-14(15)19/h2-7,9H,8H2,1H3
InChIKeyVTHUQNAZERATQW-UHFFFAOYSA-N
XLogP3.71
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.22
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The IUPAC name of 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one (CID 17459984) is 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one.
What is the SMILES notation for 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The canonical SMILES for 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one is Cc1cccn2cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)nc12.
What is the InChIKey of 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
The InChIKey is VTHUQNAZERATQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N4O/c1-10-3-2-4-22-7-12(21-16(10)22)8-23-9-20-15-13(17(23)24)5-11(18)6-14(15)19/h2-7,9H,8H2,1H3.
What are the key properties of 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one?
6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one has a molecular weight of 359.22 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]quinazolin-4-one is sourced from PubChem (CID 17459984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).