3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone

C24H26N2O2 — CID 24805133

IUPAC3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone
SMILESCOc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H26N2O2/c1-28-22-12-8-17(9-13-22)19-15-20-10-11-21(16-19)26(20)24(27)25-14-4-6-18-5-2-3-7-23(18)25/h2-3,5,7-9,12-13,15,20-21H,4,6,10-11,14,16H2,1H3
InChIKeyTUXOPAOVFQVBGQ-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.89
Rot. Bonds2

About 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone

3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone (PubChem CID 24805133) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone
PubChem CID24805133
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone
SMILESCOc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1
InChIInChI=1S/C24H26N2O2/c1-28-22-12-8-17(9-13-22)19-15-20-10-11-21(16-19)26(20)24(27)25-14-4-6-18-5-2-3-7-23(18)25/h2-3,5,7-9,12-13,15,20-21H,4,6,10-11,14,16H2,1H3
InChIKeyTUXOPAOVFQVBGQ-UHFFFAOYSA-N
XLogP4.89
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,5-dichloro-3-pyridinyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 24803327
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 109150620
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
(1Z)-1-(3,4-dihydro-2H-quinolin-1-yl)-1-[(4-methoxyphenyl)hydrazinylidene]propan-2-one
CID 6878171
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
2,3-dihydroindol-1-yl-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 112824456
3,4-dihydro-2H-quinolin-1-yl-(4-methylpiperidin-1-yl)methanone
CID 108987982
2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108505550
N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 7215319
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109057134
methyl 1-[(1R,5R)-3-phenyl-8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl]cyclopropane-1-carboxylate
CID 100733384

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone (CID 24805133) is 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone is COc1ccc(C2=CC3CCC(C2)N3C(=O)N2CCCc3ccccc32)cc1.
What is the InChIKey of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone?
The InChIKey is TUXOPAOVFQVBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-28-22-12-8-17(9-13-22)19-15-20-10-11-21(16-19)26(20)24(27)25-14-4-6-18-5-2-3-7-23(18)25/h2-3,5,7-9,12-13,15,20-21H,4,6,10-11,14,16H2,1H3.
What are the key properties of 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone?
3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone has a molecular weight of 374.48 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-quinolin-1-yl-[3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]oct-2-en-8-yl]methanone is sourced from PubChem (CID 24805133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).