3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline

C22H20N2 — CID 54424126

IUPAC3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
SMILESCc1ccc2nc(-c3ccc4ccccc4n3)c(C)c(C)c2c1C
InChIInChI=1S/C22H20N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)22(24-19)20-12-10-17-7-5-6-8-18(17)23-20/h5-12H,1-4H3
InChIKeyWCWKRGRIMJNARC-UHFFFAOYSA-N
MW312.42 g/mol
LogP5.68
Rot. Bonds1

About 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline

3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline (PubChem CID 54424126) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline.

Molecular Properties

Compound Name3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
PubChem CID54424126
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline
SMILESCc1ccc2nc(-c3ccc4ccccc4n3)c(C)c(C)c2c1C
InChIInChI=1S/C22H20N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)22(24-19)20-12-10-17-7-5-6-8-18(17)23-20/h5-12H,1-4H3
InChIKeyWCWKRGRIMJNARC-UHFFFAOYSA-N
XLogP5.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-dimethylphenyl)quinoline
CID 1202732
3-methyl-1-benzazepin-2-one
CID 20546908
7-bromo-8-methyl-2-quinolin-2-ylquinoline
CID 175727563
2-(2-methylcyclopenten-1-yl)quinoline
CID 70989557
5-(3,4-dimethylphenyl)-4-(4-methylphenyl)-2-quinolin-2-yl-1,3-oxazole
CID 166445081
2-methyl-3-quinolin-2-ylcyclopent-2-en-1-one
CID 142684141
iridium;tris(2-phenylquinoline)
CID 122129463
iridium(3+);bis(2-pyridin-2-ylquinoline)
CID 175803396
benzene;2-[3-methyl-4-(3-methyl-6-phenyl-2-quinolin-2-yl-4-pyridinyl)-6-phenyl-2-pyridinyl]quinoline;bis(platinum(2+))
CID 23528042
2-quinolin-2-ylquinoline-3-carbonyl chloride
CID 175755817
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
5,6-dimethyl-1,10-phenanthroline;osmium(6+);bis(2-quinolin-2-ylquinoline);dichloride
CID 90466727

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline?
The IUPAC name of 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline (CID 54424126) is 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline.
What is the SMILES notation for 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline?
The canonical SMILES for 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline is Cc1ccc2nc(-c3ccc4ccccc4n3)c(C)c(C)c2c1C.
What is the InChIKey of 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline?
The InChIKey is WCWKRGRIMJNARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2/c1-13-9-11-19-21(14(13)2)15(3)16(4)22(24-19)20-12-10-17-7-5-6-8-18(17)23-20/h5-12H,1-4H3.
What are the key properties of 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline?
3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline has a molecular weight of 312.42 g/mol, XLogP of 5.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetramethyl-2-quinolin-2-ylquinoline is sourced from PubChem (CID 54424126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).