(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline

C19H23N — CID 155394598

IUPAC(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline
SMILESCc1ccccc1N1C[C@@H](C)C(C)(C)c2ccccc21
InChIInChI=1S/C19H23N/c1-14-9-5-7-11-17(14)20-13-15(2)19(3,4)16-10-6-8-12-18(16)20/h5-12,15H,13H2,1-4H3/t15-/m1/s1
InChIKeyHAUQMVJZHAIGAD-OAHLLOKOSA-N
MW265.40 g/mol
LogP5.06
Rot. Bonds1

About (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline

(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline (PubChem CID 155394598) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline.

Molecular Properties

Compound Name(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline
PubChem CID155394598
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline
SMILESCc1ccccc1N1C[C@@H](C)C(C)(C)c2ccccc21
InChIInChI=1S/C19H23N/c1-14-9-5-7-11-17(14)20-13-15(2)19(3,4)16-10-6-8-12-18(16)20/h5-12,15H,13H2,1-4H3/t15-/m1/s1
InChIKeyHAUQMVJZHAIGAD-OAHLLOKOSA-N
XLogP5.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline?
The IUPAC name of (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline (CID 155394598) is (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline.
What is the SMILES notation for (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline?
The canonical SMILES for (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline is Cc1ccccc1N1C[C@@H](C)C(C)(C)c2ccccc21.
What is the InChIKey of (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline?
The InChIKey is HAUQMVJZHAIGAD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23N/c1-14-9-5-7-11-17(14)20-13-15(2)19(3,4)16-10-6-8-12-18(16)20/h5-12,15H,13H2,1-4H3/t15-/m1/s1.
What are the key properties of (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline?
(3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4,4-trimethyl-1-(2-methylphenyl)-2,3-dihydroquinoline is sourced from PubChem (CID 155394598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).