3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

C24H24N2O2 — CID 135023836

IUPAC3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(C2C3CCC(C3)C2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H24N2O2/c1-28-19-11-9-15(10-12-19)21-17-7-8-18(14-17)22(21)24(27)26-20-6-2-4-16-5-3-13-25-23(16)20/h2-6,9-13,17-18,21-22H,7-8,14H2,1H3,(H,26,27)
InChIKeyQNFGKVPNZYANBX-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.01
Rot. Bonds4

About 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 135023836) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID135023836
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCOc1ccc(C2C3CCC(C3)C2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C24H24N2O2/c1-28-19-11-9-15(10-12-19)21-17-7-8-18(14-17)22(21)24(27)26-20-6-2-4-16-5-3-13-25-23(16)20/h2-6,9-13,17-18,21-22H,7-8,14H2,1H3,(H,26,27)
InChIKeyQNFGKVPNZYANBX-UHFFFAOYSA-N
XLogP5.01
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
N-[(4-methoxyphenyl)methyl]-N'-quinolin-8-yloxamide
CID 108508241
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124766624
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
(1R,2R,3R,4R)-3-(quinolin-8-ylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 21014127
1-(4-methoxyphenyl)-3-(quinolin-8-ylamino)prop-2-en-1-one
CID 598063
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
[(1R,2R,3R,4S)-3-(3-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]-pyridin-2-ylmethanone
CID 46187280
1-[4-[(1R,2R,3S,4S)-3-(4-methoxybenzoyl)-2-bicyclo[2.2.1]heptanyl]phenyl]ethanone
CID 101136009
1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023833

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 135023836) is 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide is COc1ccc(C2C3CCC(C3)C2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is QNFGKVPNZYANBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-28-19-11-9-15(10-12-19)21-17-7-8-18(14-17)22(21)24(27)26-20-6-2-4-16-5-3-13-25-23(16)20/h2-6,9-13,17-18,21-22H,7-8,14H2,1H3,(H,26,27).
What are the key properties of 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 135023836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).