8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one

C18H20ClNO2 — CID 145024773

IUPAC8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one
SMILESCCCCC1CNCc2c1oc(-c1ccc(Cl)cc1)cc2=O
InChIInChI=1S/C18H20ClNO2/c1-2-3-4-13-10-20-11-15-16(21)9-17(22-18(13)15)12-5-7-14(19)8-6-12/h5-9,13,20H,2-4,10-11H2,1H3
InChIKeyQNXXNJDJTQEQBQ-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.34
Rot. Bonds4

About 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one

8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one (PubChem CID 145024773) has the molecular formula C18H20ClNO2 and a molecular weight of 317.82 g/mol. Its IUPAC name is 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one
PubChem CID145024773
Molecular FormulaC18H20ClNO2
Molecular Weight317.82 g/mol
Exact Mass317.12
IUPAC Name8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one
SMILESCCCCC1CNCc2c1oc(-c1ccc(Cl)cc1)cc2=O
InChIInChI=1S/C18H20ClNO2/c1-2-3-4-13-10-20-11-15-16(21)9-17(22-18(13)15)12-5-7-14(19)8-6-12/h5-9,13,20H,2-4,10-11H2,1H3
InChIKeyQNXXNJDJTQEQBQ-UHFFFAOYSA-N
XLogP4.34
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one?
The IUPAC name of 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one (CID 145024773) is 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one.
What is the SMILES notation for 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one?
The canonical SMILES for 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one is CCCCC1CNCc2c1oc(-c1ccc(Cl)cc1)cc2=O.
What is the InChIKey of 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one?
The InChIKey is QNXXNJDJTQEQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO2/c1-2-3-4-13-10-20-11-15-16(21)9-17(22-18(13)15)12-5-7-14(19)8-6-12/h5-9,13,20H,2-4,10-11H2,1H3.
What are the key properties of 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one?
8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one has a molecular weight of 317.82 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butyl-2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrano[3,2-c]pyridin-4-one is sourced from PubChem (CID 145024773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).