8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline

C22H21NO — CID 175769390

IUPAC8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline
SMILESCc1c(-c2ccc3cc(C(C)C)cc(C)c3n2)oc2ccccc12
InChIInChI=1S/C22H21NO/c1-13(2)17-11-14(3)21-16(12-17)9-10-19(23-21)22-15(4)18-7-5-6-8-20(18)24-22/h5-13H,1-4H3
InChIKeyWWAVOFOWWYUBJK-UHFFFAOYSA-N
MW315.42 g/mol
LogP6.39
Rot. Bonds2

About 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline

8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline (PubChem CID 175769390) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline.

Molecular Properties

Compound Name8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline
PubChem CID175769390
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline
SMILESCc1c(-c2ccc3cc(C(C)C)cc(C)c3n2)oc2ccccc12
InChIInChI=1S/C22H21NO/c1-13(2)17-11-14(3)21-16(12-17)9-10-19(23-21)22-15(4)18-7-5-6-8-20(18)24-22/h5-13H,1-4H3
InChIKeyWWAVOFOWWYUBJK-UHFFFAOYSA-N
XLogP6.39
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline?
The IUPAC name of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline (CID 175769390) is 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline.
What is the SMILES notation for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline?
The canonical SMILES for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline is Cc1c(-c2ccc3cc(C(C)C)cc(C)c3n2)oc2ccccc12.
What is the InChIKey of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline?
The InChIKey is WWAVOFOWWYUBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-13(2)17-11-14(3)21-16(12-17)9-10-19(23-21)22-15(4)18-7-5-6-8-20(18)24-22/h5-13H,1-4H3.
What are the key properties of 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline?
8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline has a molecular weight of 315.42 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(3-methyl-1-benzofuran-2-yl)-6-propan-2-ylquinoline is sourced from PubChem (CID 175769390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).