2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

C20H19ClN4OS — CID 4067243

IUPAC2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O
InChIInChI=1S/C20H19ClN4OS/c1-13(2)9-25-19(26)16-5-3-4-6-17(16)23-20(25)27-12-15-11-24-10-14(21)7-8-18(24)22-15/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyNKNGYWVQHXIVLV-UHFFFAOYSA-N
MW398.92 g/mol
LogP4.65
Rot. Bonds5

About 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one (PubChem CID 4067243) has the molecular formula C20H19ClN4OS and a molecular weight of 398.92 g/mol. Its IUPAC name is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
PubChem CID4067243
Molecular FormulaC20H19ClN4OS
Molecular Weight398.92 g/mol
Exact Mass398.10
IUPAC Name2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one
SMILESCC(C)Cn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O
InChIInChI=1S/C20H19ClN4OS/c1-13(2)9-25-19(26)16-5-3-4-6-17(16)23-20(25)27-12-15-11-24-10-14(21)7-8-18(24)22-15/h3-8,10-11,13H,9,12H2,1-2H3
InChIKeyNKNGYWVQHXIVLV-UHFFFAOYSA-N
XLogP4.65
TPSA52.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.92
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one?
The IUPAC name of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one (CID 4067243) is 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one.
What is the SMILES notation for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one?
The canonical SMILES for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one is CC(C)Cn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O.
What is the InChIKey of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one?
The InChIKey is NKNGYWVQHXIVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4OS/c1-13(2)9-25-19(26)16-5-3-4-6-17(16)23-20(25)27-12-15-11-24-10-14(21)7-8-18(24)22-15/h3-8,10-11,13H,9,12H2,1-2H3.
What are the key properties of 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one?
2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one has a molecular weight of 398.92 g/mol, XLogP of 4.65, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one is sourced from PubChem (CID 4067243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).