4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine

C22H23NO — CID 144815816

IUPAC4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine
SMILESCC1=CC(c2c(C)ccc3c2oc2c(C(C)C)cccc23)NC=C1
InChIInChI=1S/C22H23NO/c1-13(2)16-6-5-7-17-18-9-8-15(4)20(22(18)24-21(16)17)19-12-14(3)10-11-23-19/h5-13,19,23H,1-4H3
InChIKeyJAZVQVUNNCLCHM-UHFFFAOYSA-N
MW317.43 g/mol
LogP6.12
Rot. Bonds2

About 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine

4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine (PubChem CID 144815816) has the molecular formula C22H23NO and a molecular weight of 317.43 g/mol. Its IUPAC name is 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine.

Molecular Properties

Compound Name4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine
PubChem CID144815816
Molecular FormulaC22H23NO
Molecular Weight317.43 g/mol
Exact Mass317.18
IUPAC Name4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine
SMILESCC1=CC(c2c(C)ccc3c2oc2c(C(C)C)cccc23)NC=C1
InChIInChI=1S/C22H23NO/c1-13(2)16-6-5-7-17-18-9-8-15(4)20(22(18)24-21(16)17)19-12-14(3)10-11-23-19/h5-13,19,23H,1-4H3
InChIKeyJAZVQVUNNCLCHM-UHFFFAOYSA-N
XLogP6.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.43
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,6-dimethyldibenzofuran-4-yl)-4-methyl-1,2-dihydropyridine;ethane
CID 144815849
2-(3,6-dimethyldibenzofuran-4-yl)-1,2-dihydropyridine
CID 144831184
2-dibenzofuran-4-yl-4-methyl-1,2-dihydropyridine;ethane
CID 144831127
4-methyl-2-(2-methylphenyl)-1,2-dihydropyridine
CID 135303490
(Z)-4-(3-methyl-6-propan-2-yldibenzofuran-4-yl)but-2-en-1-imine
CID 145067901
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
N-methyl-N-(4-methylphenyl)-6-propan-2-yldibenzofuran-4-amine
CID 138456794
2-(3-methyl-6-propan-2-yldibenzothiophen-2-yl)-4-propan-2-yl-1,2-dihydropyridine
CID 144815826
4-hydroxy-3-methyl-8-propan-2-ylchromen-2-one
CID 143309874
(1Z,3Z)-5-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-3-propan-2-ylpenta-1,3-dien-1-amine
CID 144815720
N-iodo-6-propan-2-yl-N-(2-propan-2-ylphenyl)dibenzofuran-4-amine
CID 137416612
2-ethyl-7-propan-2-yl-1-benzofuran-3-ol
CID 91138149

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine?
The IUPAC name of 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine (CID 144815816) is 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine.
What is the SMILES notation for 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine?
The canonical SMILES for 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine is CC1=CC(c2c(C)ccc3c2oc2c(C(C)C)cccc23)NC=C1.
What is the InChIKey of 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine?
The InChIKey is JAZVQVUNNCLCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO/c1-13(2)16-6-5-7-17-18-9-8-15(4)20(22(18)24-21(16)17)19-12-14(3)10-11-23-19/h5-13,19,23H,1-4H3.
What are the key properties of 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine?
4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine has a molecular weight of 317.43 g/mol, XLogP of 6.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methyl-6-propan-2-yldibenzofuran-4-yl)-1,2-dihydropyridine is sourced from PubChem (CID 144815816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).