(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone

C26H27NO2 — CID 2857192

IUPAC(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C26H27NO2/c1-25(2)18-26(3,20-12-6-5-7-13-20)22-15-8-9-16-23(22)27(25)24(28)19-11-10-14-21(17-19)29-4/h5-17H,18H2,1-4H3
InChIKeyNHBLVYMMZNXZDJ-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.83
Rot. Bonds3

About (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone

(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone (PubChem CID 2857192) has the molecular formula C26H27NO2 and a molecular weight of 385.51 g/mol. Its IUPAC name is (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
PubChem CID2857192
Molecular FormulaC26H27NO2
Molecular Weight385.51 g/mol
Exact Mass385.20
IUPAC Name(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone
SMILESCOc1cccc(C(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)c1
InChIInChI=1S/C26H27NO2/c1-25(2)18-26(3,20-12-6-5-7-13-20)22-15-8-9-16-23(22)27(25)24(28)19-11-10-14-21(17-19)29-4/h5-17H,18H2,1-4H3
InChIKeyNHBLVYMMZNXZDJ-UHFFFAOYSA-N
XLogP5.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone (CID 2857192) is (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone is COc1cccc(C(=O)N2c3ccccc3C(C)(c3ccccc3)CC2(C)C)c1.
What is the InChIKey of (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
The InChIKey is NHBLVYMMZNXZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO2/c1-25(2)18-26(3,20-12-6-5-7-13-20)22-15-8-9-16-23(22)27(25)24(28)19-11-10-14-21(17-19)29-4/h5-17H,18H2,1-4H3.
What are the key properties of (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone?
(3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone has a molecular weight of 385.51 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)methanone is sourced from PubChem (CID 2857192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).