1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

C31H30N2O — CID 135023833

IUPAC1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C2C3CCC(c4ccc(C)cc4)(C3)C2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C31H30N2O/c1-20-8-12-22(13-9-20)27-24-16-17-31(19-24,25-14-10-21(2)11-15-25)28(27)30(34)33-26-7-3-5-23-6-4-18-32-29(23)26/h3-15,18,24,27-28H,16-17,19H2,1-2H3,(H,33,34)
InChIKeyRJFWQTSHMNWDMQ-UHFFFAOYSA-N
MW446.59 g/mol
LogP6.94
Rot. Bonds4

About 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide

1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 135023833) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
PubChem CID135023833
Molecular FormulaC31H30N2O
Molecular Weight446.59 g/mol
Exact Mass446.24
IUPAC Name1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1ccc(C2C3CCC(c4ccc(C)cc4)(C3)C2C(=O)Nc2cccc3cccnc23)cc1
InChIInChI=1S/C31H30N2O/c1-20-8-12-22(13-9-20)27-24-16-17-31(19-24,25-14-10-21(2)11-15-25)28(27)30(34)33-26-7-3-5-23-6-4-18-32-29(23)26/h3-15,18,24,27-28H,16-17,19H2,1-2H3,(H,33,34)
InChIKeyRJFWQTSHMNWDMQ-UHFFFAOYSA-N
XLogP6.94
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.59
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[1-(4-methylphenyl)cyclopropyl]methyl]-3-quinolin-8-ylurea
CID 113214114
3-(4-methoxyphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide
CID 135023836
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpiperidine-4-carboxamide
CID 3192941
2-N,3-N-di(quinolin-8-yl)bicyclo[2.2.1]heptane-2,3-dicarboxamide
CID 135023876
1-(4-methylphenyl)sulfonyl-N-quinolin-8-ylpyrrolidine-3-carboxamide
CID 134160181
N-quinolin-8-ylcyclohexanecarboxamide
CID 835933
N-quinolin-8-ylpiperidine-2-carboxamide
CID 18071566
1-N-(2,6-dimethylphenyl)-2-N-quinolin-8-ylcyclopropane-1,2-dicarboxamide
CID 109141882
1-N-cyclopropyl-4-N-quinolin-8-ylcyclohexane-1,4-dicarboxamide
CID 109144816
cis-(2S,6R)-2,6-diphenyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 177490344
4-butyl-N-quinolin-8-ylcyclohexane-1-carboxamide
CID 20895152
(2R,3S)-3-(4-ethynylphenyl)-N-quinolin-8-ylazetidine-2-carboxamide
CID 176615733

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide (CID 135023833) is 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide is Cc1ccc(C2C3CCC(c4ccc(C)cc4)(C3)C2C(=O)Nc2cccc3cccnc23)cc1.
What is the InChIKey of 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is RJFWQTSHMNWDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c1-20-8-12-22(13-9-20)27-24-16-17-31(19-24,25-14-10-21(2)11-15-25)28(27)30(34)33-26-7-3-5-23-6-4-18-32-29(23)26/h3-15,18,24,27-28H,16-17,19H2,1-2H3,(H,33,34).
What are the key properties of 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide?
1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 6.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenyl)-N-quinolin-8-ylbicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 135023833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).