phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

C19H21NO — CID 903985

IUPACphenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-14-13-19(2,3)20(17-12-8-7-11-16(14)17)18(21)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyHWLPQDNWJADAHR-CQSZACIVSA-N
MW279.38 g/mol
LogP4.62
Rot. Bonds1

About phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone

phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (PubChem CID 903985) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
PubChem CID903985
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Namephenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone
SMILESC[C@@H]1CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H21NO/c1-14-13-19(2,3)20(17-12-8-7-11-16(14)17)18(21)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-/m1/s1
InChIKeyHWLPQDNWJADAHR-CQSZACIVSA-N
XLogP4.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The IUPAC name of phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone (CID 903985) is phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone.
What is the SMILES notation for phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The canonical SMILES for phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is C[C@@H]1CC(C)(C)N(C(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
The InChIKey is HWLPQDNWJADAHR-CQSZACIVSA-N. The full InChI is InChI=1S/C19H21NO/c1-14-13-19(2,3)20(17-12-8-7-11-16(14)17)18(21)15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3/t14-/m1/s1.
What are the key properties of phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone?
phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone has a molecular weight of 279.38 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[(4R)-2,2,4-trimethyl-3,4-dihydroquinolin-1-yl]methanone is sourced from PubChem (CID 903985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).