N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

C20H26N2O3 — CID 167895166

IUPACN-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)NCC34CC5CC3C4C5O)cc2C1
InChIInChI=1S/C20H26N2O3/c1-19(2)4-3-14-10(7-19)5-12(18(25)22-14)17(24)21-9-20-8-11-6-13(20)15(20)16(11)23/h5,11,13,15-16,23H,3-4,6-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFDCOJICIAGLLAM-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.64
Rot. Bonds3

About N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide

N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (PubChem CID 167895166) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
PubChem CID167895166
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC NameN-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide
SMILESCC1(C)CCc2[nH]c(=O)c(C(=O)NCC34CC5CC3C4C5O)cc2C1
InChIInChI=1S/C20H26N2O3/c1-19(2)4-3-14-10(7-19)5-12(18(25)22-14)17(24)21-9-20-8-11-6-13(20)15(20)16(11)23/h5,11,13,15-16,23H,3-4,6-9H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyFDCOJICIAGLLAM-UHFFFAOYSA-N
XLogP1.64
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The IUPAC name of N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide (CID 167895166) is N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide.
What is the SMILES notation for N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The canonical SMILES for N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is CC1(C)CCc2[nH]c(=O)c(C(=O)NCC34CC5CC3C4C5O)cc2C1.
What is the InChIKey of N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
The InChIKey is FDCOJICIAGLLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-19(2)4-3-14-10(7-19)5-12(18(25)22-14)17(24)21-9-20-8-11-6-13(20)15(20)16(11)23/h5,11,13,15-16,23H,3-4,6-9H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide?
N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide has a molecular weight of 342.44 g/mol, XLogP of 1.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxy-1-tricyclo[2.2.1.02,6]heptanyl)methyl]-6,6-dimethyl-2-oxo-1,5,7,8-tetrahydroquinoline-3-carboxamide is sourced from PubChem (CID 167895166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).