(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone

C25H25NO2 — CID 23889651

IUPAC(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccc(C)cc3C(c3ccccc3)CC2C)cc1
InChIInChI=1S/C25H25NO2/c1-17-9-14-24-23(15-17)22(19-7-5-4-6-8-19)16-18(2)26(24)25(27)20-10-12-21(28-3)13-11-20/h4-15,18,22H,16H2,1-3H3
InChIKeyUUICANXJKLKETI-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.57
Rot. Bonds3

About (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone

(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone (PubChem CID 23889651) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
PubChem CID23889651
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Name(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2c3ccc(C)cc3C(c3ccccc3)CC2C)cc1
InChIInChI=1S/C25H25NO2/c1-17-9-14-24-23(15-17)22(19-7-5-4-6-8-19)16-18(2)26(24)25(27)20-10-12-21(28-3)13-11-20/h4-15,18,22H,16H2,1-3H3
InChIKeyUUICANXJKLKETI-UHFFFAOYSA-N
XLogP5.57
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone (CID 23889651) is (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2c3ccc(C)cc3C(c3ccccc3)CC2C)cc1.
What is the InChIKey of (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone?
The InChIKey is UUICANXJKLKETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c1-17-9-14-24-23(15-17)22(19-7-5-4-6-8-19)16-18(2)26(24)25(27)20-10-12-21(28-3)13-11-20/h4-15,18,22H,16H2,1-3H3.
What are the key properties of (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone?
(2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone has a molecular weight of 371.48 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-phenyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 23889651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).