[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone

C28H31NO2 — CID 2721223

IUPAC[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
SMILESCCOc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1
InChIInChI=1S/C28H31NO2/c1-6-31-23-15-13-22(14-16-23)28(5)19-27(3,4)29(25-17-12-20(2)18-24(25)28)26(30)21-10-8-7-9-11-21/h7-18H,6,19H2,1-5H3/t28-/m1/s1
InChIKeyHBIZCOIGTAQXEE-MUUNZHRXSA-N
MW413.56 g/mol
LogP6.53
Rot. Bonds4

About [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone

[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone (PubChem CID 2721223) has the molecular formula C28H31NO2 and a molecular weight of 413.56 g/mol. Its IUPAC name is [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
PubChem CID2721223
Molecular FormulaC28H31NO2
Molecular Weight413.56 g/mol
Exact Mass413.24
IUPAC Name[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone
SMILESCCOc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1
InChIInChI=1S/C28H31NO2/c1-6-31-23-15-13-22(14-16-23)28(5)19-27(3,4)29(25-17-12-20(2)18-24(25)28)26(30)21-10-8-7-9-11-21/h7-18H,6,19H2,1-5H3/t28-/m1/s1
InChIKeyHBIZCOIGTAQXEE-MUUNZHRXSA-N
XLogP6.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.56
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-benzodioxol-5-yl-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)methanone
CID 3710122
ethyl 2-oxo-2-[(4S)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]acetate
CID 7298133
2-piperidin-1-ium-1-yl-1-(2,2,4,6-tetramethyl-4-phenyl-3H-quinolin-1-yl)ethanone chloride
CID 44664328
(4-methylphenyl)-[2,2,4-trimethyl-6-[2,2,4-trimethyl-1-(4-methylbenzoyl)-3H-quinolin-4-yl]quinolin-1-yl]methanone
CID 3094902
1-(6-amino-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl)propan-1-one
CID 15390256
[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-(4-fluorophenyl)methanone
CID 3721009
2-[2-oxo-2-[2,2,4-trimethyl-4-(4-methylphenyl)-6-trityl-3H-quinolin-1-yl]ethyl]isoindole-1,3-dione
CID 3883725
1-[4-(4-chlorophenyl)-2,2,4-trimethyl-3H-quinolin-1-yl]-2-(4-ethylphenoxy)ethanone
CID 3788442
2-(4-ethoxyphenoxy)-1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]ethanone
CID 36629430
(3aS,7aS)-2-[2-oxo-2-[(4R)-2,2,4,7-tetramethyl-4-phenyl-3H-quinolin-1-yl]ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 6581820
N-(1-butanoyl-2,2,4-trimethyl-4-phenyl-3H-quinolin-6-yl)-2,2,2-trifluoroacetamide
CID 171982647
1-[2-oxo-2-[(4R)-2,2,4-trimethyl-4-phenyl-3H-quinolin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 1224796

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone?
The IUPAC name of [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone (CID 2721223) is [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone.
What is the SMILES notation for [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone?
The canonical SMILES for [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone is CCOc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccccc3)c3ccc(C)cc32)cc1.
What is the InChIKey of [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone?
The InChIKey is HBIZCOIGTAQXEE-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H31NO2/c1-6-31-23-15-13-22(14-16-23)28(5)19-27(3,4)29(25-17-12-20(2)18-24(25)28)26(30)21-10-8-7-9-11-21/h7-18H,6,19H2,1-5H3/t28-/m1/s1.
What are the key properties of [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone?
[(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone has a molecular weight of 413.56 g/mol, XLogP of 6.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(4-ethoxyphenyl)-2,2,4,6-tetramethyl-3H-quinolin-1-yl]-phenylmethanone is sourced from PubChem (CID 2721223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).