N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide

C20H24N2O2 — CID 59952071

IUPACN-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
SMILESCC1(C)C2CC[C@@H](CNC(=O)c3ccc4cccnc4c3O)C1C2
InChIInChI=1S/C20H24N2O2/c1-20(2)14-7-5-13(16(20)10-14)11-22-19(24)15-8-6-12-4-3-9-21-17(12)18(15)23/h3-4,6,8-9,13-14,16,23H,5,7,10-11H2,1-2H3,(H,22,24)/t13-,14?,16?/m0/s1
InChIKeyHUGLBGPCFDMOEU-HLIUYOAVSA-N
MW324.42 g/mol
LogP3.74
Rot. Bonds3

About N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide

N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide (PubChem CID 59952071) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
PubChem CID59952071
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide
SMILESCC1(C)C2CC[C@@H](CNC(=O)c3ccc4cccnc4c3O)C1C2
InChIInChI=1S/C20H24N2O2/c1-20(2)14-7-5-13(16(20)10-14)11-22-19(24)15-8-6-12-4-3-9-21-17(12)18(15)23/h3-4,6,8-9,13-14,16,23H,5,7,10-11H2,1-2H3,(H,22,24)/t13-,14?,16?/m0/s1
InChIKeyHUGLBGPCFDMOEU-HLIUYOAVSA-N
XLogP3.74
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide?
The IUPAC name of N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide (CID 59952071) is N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide.
What is the SMILES notation for N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide?
The canonical SMILES for N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide is CC1(C)C2CC[C@@H](CNC(=O)c3ccc4cccnc4c3O)C1C2.
What is the InChIKey of N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide?
The InChIKey is HUGLBGPCFDMOEU-HLIUYOAVSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-20(2)14-7-5-13(16(20)10-14)11-22-19(24)15-8-6-12-4-3-9-21-17(12)18(15)23/h3-4,6,8-9,13-14,16,23H,5,7,10-11H2,1-2H3,(H,22,24)/t13-,14?,16?/m0/s1.
What are the key properties of N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide?
N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide has a molecular weight of 324.42 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methyl]-8-hydroxyquinoline-7-carboxamide is sourced from PubChem (CID 59952071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).