4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline

C18H21NO — CID 12982738

IUPAC4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
SMILESCOC1c2ccccc2NC(c2ccccc2)C1(C)C
InChIInChI=1S/C18H21NO/c1-18(2)16(13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)17(18)20-3/h4-12,16-17,19H,1-3H3
InChIKeyJZURANJZOXJWRN-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.57
Rot. Bonds2

About 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline

4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline (PubChem CID 12982738) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
PubChem CID12982738
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline
SMILESCOC1c2ccccc2NC(c2ccccc2)C1(C)C
InChIInChI=1S/C18H21NO/c1-18(2)16(13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)17(18)20-3/h4-12,16-17,19H,1-3H3
InChIKeyJZURANJZOXJWRN-UHFFFAOYSA-N
XLogP4.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S,4R)-3,3,6-trimethyl-2-phenyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 6934485
(3aR,4R,9bS)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;(3aS,4S,9bR)-3a-methyl-4-phenyl-1,2,3,4,5,9b-hexahydropyrrolo[3,2-c]quinoline;tetrahydrochloride
CID 162190975
[(2S,4S)-2-(1,3-benzodioxol-5-yl)-3,3-dimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 718909
3-methoxy-2,2,4,4-tetramethyl-5-phenylpyrrolidine
CID 12707374
4,4-dimethoxy-3,5-diphenylpyrazolidine
CID 90770156
(2R,4S)-2-(4-methoxyphenyl)-4-phenyl-1,2,3,4-tetrahydroquinazoline
CID 129404319
2,2-dimethyl-1,3-diphenyl-1,3-dihydroindene
CID 20781734
[(2S,4S)-2-(4-fluorophenyl)-6-methoxy-3,3-dimethyl-2,4-dihydro-1H-quinolin-4-yl] acetate
CID 787374
(4R)-3,3-dimethyl-4-phenylazetidin-2-one
CID 7034516
3-methoxy-2,2-dimethyl-3H-1-benzothiophene 1,1-dioxide
CID 58521880
2-methoxy-3-methyl-1,2-dihydroindol-3-ol
CID 86024263
4-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
CID 82275853

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The IUPAC name of 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline (CID 12982738) is 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline.
What is the SMILES notation for 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The canonical SMILES for 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline is COC1c2ccccc2NC(c2ccccc2)C1(C)C.
What is the InChIKey of 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
The InChIKey is JZURANJZOXJWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-18(2)16(13-9-5-4-6-10-13)19-15-12-8-7-11-14(15)17(18)20-3/h4-12,16-17,19H,1-3H3.
What are the key properties of 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline?
4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline has a molecular weight of 267.37 g/mol, XLogP of 4.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3,3-dimethyl-2-phenyl-2,4-dihydro-1H-quinoline is sourced from PubChem (CID 12982738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).