3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline

C23H21N — CID 142462542

IUPAC3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline
SMILESCC1=C(c2ccc(C)cc2)N(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C23H21N/c1-17-12-14-19(15-13-17)23-18(2)16-20-8-6-7-11-22(20)24(23)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3
InChIKeyVMNKYRPKXUUUIQ-UHFFFAOYSA-N
MW311.43 g/mol
LogP6.12
Rot. Bonds2

About 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline

3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline (PubChem CID 142462542) has the molecular formula C23H21N and a molecular weight of 311.43 g/mol. Its IUPAC name is 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline.

Molecular Properties

Compound Name3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline
PubChem CID142462542
Molecular FormulaC23H21N
Molecular Weight311.43 g/mol
Exact Mass311.17
IUPAC Name3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline
SMILESCC1=C(c2ccc(C)cc2)N(c2ccccc2)c2ccccc2C1
InChIInChI=1S/C23H21N/c1-17-12-14-19(15-13-17)23-18(2)16-20-8-6-7-11-22(20)24(23)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3
InChIKeyVMNKYRPKXUUUIQ-UHFFFAOYSA-N
XLogP6.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.43
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-2-azatetracyclo[15.4.0.03,8.010,15]henicosa-1(21),3,5,7,10,12,14,17,19-nonaene
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8-methyl-5-(4-methylphenyl)-13,14-dihydroquinolino[3,2-a]acridine
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1-phenyl-5H-1-benzazepine-2,4-dione
CID 67618146
11-[6-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-9,10-bis(4-methylphenyl)anthracen-2-yl]-5,6-dihydrobenzo[b][1]benzazepine
CID 59220889
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-methylphenyl)-1-phenylpyrrole-2,5-dione
CID 110573925
1-ethyl-10-phenyl-9H-acridine
CID 175736708
3,6-bis(4-methylphenyl)-1,4-diphenylpyrrolo[3,2-b]pyrrole-2,5-dione
CID 10552238
1-(4-methylphenyl)-3-phenyl-1,3-diazinane-2,4,6-trione
CID 20607089
10-(4-methylphenyl)-2-naphthalen-2-yl-7-phenyl-9H-acridine
CID 58556165
10-(4-ethylphenyl)-9H-acridine
CID 131970743
bicyclo[4.1.0]hepta-1,3,5-triene;toluene
CID 173262949
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline?
The IUPAC name of 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline (CID 142462542) is 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline.
What is the SMILES notation for 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline?
The canonical SMILES for 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline is CC1=C(c2ccc(C)cc2)N(c2ccccc2)c2ccccc2C1.
What is the InChIKey of 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline?
The InChIKey is VMNKYRPKXUUUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N/c1-17-12-14-19(15-13-17)23-18(2)16-20-8-6-7-11-22(20)24(23)21-9-4-3-5-10-21/h3-15H,16H2,1-2H3.
What are the key properties of 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline?
3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline has a molecular weight of 311.43 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylphenyl)-1-phenyl-4H-quinoline is sourced from PubChem (CID 142462542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).