3,3-dimethyl-2-phenyl-4H-quinoline

C17H17N — CID 58982953

IUPAC3,3-dimethyl-2-phenyl-4H-quinoline
SMILESCC1(C)Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C17H17N/c1-17(2)12-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHOBZLTKEZMPPTN-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.39
Rot. Bonds1

About 3,3-dimethyl-2-phenyl-4H-quinoline

3,3-dimethyl-2-phenyl-4H-quinoline (PubChem CID 58982953) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 3,3-dimethyl-2-phenyl-4H-quinoline.

Molecular Properties

Compound Name3,3-dimethyl-2-phenyl-4H-quinoline
PubChem CID58982953
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name3,3-dimethyl-2-phenyl-4H-quinoline
SMILESCC1(C)Cc2ccccc2N=C1c1ccccc1
InChIInChI=1S/C17H17N/c1-17(2)12-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3
InChIKeyHOBZLTKEZMPPTN-UHFFFAOYSA-N
XLogP4.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-2-phenylindole;ethane
CID 90996712
benzene;ethane;2-phenyl-3H-indole
CID 91573421
1,1-dimethyl-2-phenyl-10H-indeno[2,1-e]indole
CID 126559800
(2S)-2-methyl-3-phenyl-1,4-benzoxazin-2-ol
CID 642745
(3R)-2-methyl-3-phenyl-3-(trifluoromethyl)-4H-quinoline
CID 172643181
4-methyl-2-phenyl-4-(trifluoromethyl)-3H-quinoline
CID 90978390
CID 20813056
CID 20813056
ethane;2-[4-(3H-indol-2-yl)phenyl]-3H-indole
CID 91030329
2,3-diphenyl-1H-quinoxalin-2-ol
CID 73073640
(4,4-dimethyl-3H-quinolin-2-yl)hydrazine
CID 154101946
benzene;1,1'-biphenyl;ethane
CID 158550617
benzene;tris(1,1'-biphenyl)
CID 162155747

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-phenyl-4H-quinoline?
The IUPAC name of 3,3-dimethyl-2-phenyl-4H-quinoline (CID 58982953) is 3,3-dimethyl-2-phenyl-4H-quinoline.
What is the SMILES notation for 3,3-dimethyl-2-phenyl-4H-quinoline?
The canonical SMILES for 3,3-dimethyl-2-phenyl-4H-quinoline is CC1(C)Cc2ccccc2N=C1c1ccccc1.
What is the InChIKey of 3,3-dimethyl-2-phenyl-4H-quinoline?
The InChIKey is HOBZLTKEZMPPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-17(2)12-14-10-6-7-11-15(14)18-16(17)13-8-4-3-5-9-13/h3-11H,12H2,1-2H3.
What are the key properties of 3,3-dimethyl-2-phenyl-4H-quinoline?
3,3-dimethyl-2-phenyl-4H-quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-phenyl-4H-quinoline is sourced from PubChem (CID 58982953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).