(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline

C16H17N — CID 38988807

IUPAC(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCN1CC[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C16H17N/c1-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14H,11-12H2,1H3/t14-/m0/s1
InChIKeyMLIIQHPUWXQPBF-AWEZNQCLSA-N
MW223.32 g/mol
LogP3.66
Rot. Bonds1

About (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline

(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline (PubChem CID 38988807) has the molecular formula C16H17N and a molecular weight of 223.32 g/mol. Its IUPAC name is (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
PubChem CID38988807
Molecular FormulaC16H17N
Molecular Weight223.32 g/mol
Exact Mass223.14
IUPAC Name(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline
SMILESCN1CC[C@@H](c2ccccc2)c2ccccc21
InChIInChI=1S/C16H17N/c1-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14H,11-12H2,1H3/t14-/m0/s1
InChIKeyMLIIQHPUWXQPBF-AWEZNQCLSA-N
XLogP3.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-2-methyl-5-phenyl-4,5-dihydro-3H-2-benzazepine-1-thione
CID 125481012
2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylpropan-1-ol
CID 21408014
(4R)-4-(1H-imidazol-2-yl)-1-methyl-3,4-dihydro-2H-quinoline
CID 124562345
ethane;1-methyl-3,4-dihydro-2H-quinolin-4-amine
CID 142426417
1-methyl-4-(2H-tetrazol-5-yl)-3,4-dihydro-2H-quinoline
CID 167923299
[2-[4-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)phenoxy]-2-phenylethyl] acetate
CID 21408045
4-methoxy-1-methyl-3,4-dihydro-2H-quinoline
CID 15531030
N-benzyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine
CID 126827020
1-(3-ethoxy-3-phenylpropyl)-4-phenyl-3,4-dihydro-2H-quinoline
CID 3782971
(3S)-1,3-dimethyl-2,3-dihydroindole
CID 126732143
N-methyl-1-(1-methyl-3,4-dihydro-2H-quinolin-4-yl)methanamine;hydrochloride
CID 175798453
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320

Frequently Asked Questions

What is the IUPAC name of (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The IUPAC name of (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline (CID 38988807) is (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline is CN1CC[C@@H](c2ccccc2)c2ccccc21.
What is the InChIKey of (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
The InChIKey is MLIIQHPUWXQPBF-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N/c1-17-12-11-14(13-7-3-2-4-8-13)15-9-5-6-10-16(15)17/h2-10,14H,11-12H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline?
(4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline has a molecular weight of 223.32 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-methyl-4-phenyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 38988807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).