2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide

C27H24N4O2 — CID 135023876

IUPAC2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1C2CCC(C2)C1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C27H24N4O2/c32-26(30-20-9-1-5-16-7-3-13-28-24(16)20)22-18-11-12-19(15-18)23(22)27(33)31-21-10-2-6-17-8-4-14-29-25(17)21/h1-10,13-14,18-19,22-23H,11-12,15H2,(H,30,32)(H,31,33)
InChIKeyFFBMTMMEIORHLH-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.02
Rot. Bonds4

About 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide

2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide (PubChem CID 135023876) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide.

Molecular Properties

Compound Name2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
PubChem CID135023876
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
SMILESO=C(Nc1cccc2cccnc12)C1C2CCC(C2)C1C(=O)Nc1cccc2cccnc12
InChIInChI=1S/C27H24N4O2/c32-26(30-20-9-1-5-16-7-3-13-28-24(16)20)22-18-11-12-19(15-18)23(22)27(33)31-21-10-2-6-17-8-4-14-29-25(17)21/h1-10,13-14,18-19,22-23H,11-12,15H2,(H,30,32)(H,31,33)
InChIKeyFFBMTMMEIORHLH-UHFFFAOYSA-N
XLogP5.02
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide with MolForge

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Related Compounds

3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023836
(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
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
2,4-dinaphthalen-1-yl-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 102230878
N-quinolin-8-yloxane-2-carboxamide
CID 110863491
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
2-N-phenyl-1-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109140873
1-N-(2,6-difluorophenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109144099
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The IUPAC name of 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide (CID 135023876) is 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide.
What is the SMILES notation for 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The canonical SMILES for 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide is O=C(Nc1cccc2cccnc12)C1C2CCC(C2)C1C(=O)Nc1cccc2cccnc12.
What is the InChIKey of 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
The InChIKey is FFBMTMMEIORHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(30-20-9-1-5-16-7-3-13-28-24(16)20)22-18-11-12-19(15-18)23(22)27(33)31-21-10-2-6-17-8-4-14-29-25(17)21/h1-10,13-14,18-19,22-23H,11-12,15H2,(H,30,32)(H,31,33).
What are the key properties of 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide?
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide is sourced from PubChem (CID 135023876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).