N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide

C23H30N2O — CID 3114091

IUPACN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O/c26-22(23-11-14-8-15(12-23)10-16(9-14)13-23)25-21-17-4-1-2-6-19(17)24-20-7-3-5-18(20)21/h14-16H,1-13H2,(H,24,25,26)
InChIKeyWVBABDNIZJLPIO-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.60
Rot. Bonds2

About N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide

N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide (PubChem CID 3114091) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide
PubChem CID3114091
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC NameN-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide
SMILESO=C(Nc1c2c(nc3c1CCC3)CCCC2)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H30N2O/c26-22(23-11-14-8-15(12-23)10-16(9-14)13-23)25-21-17-4-1-2-6-19(17)24-20-7-3-5-18(20)21/h14-16H,1-13H2,(H,24,25,26)
InChIKeyWVBABDNIZJLPIO-UHFFFAOYSA-N
XLogP4.60
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide (CID 3114091) is N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide is O=C(Nc1c2c(nc3c1CCC3)CCCC2)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide?
The InChIKey is WVBABDNIZJLPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c26-22(23-11-14-8-15(12-23)10-16(9-14)13-23)25-21-17-4-1-2-6-19(17)24-20-7-3-5-18(20)21/h14-16H,1-13H2,(H,24,25,26).
What are the key properties of N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide?
N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide has a molecular weight of 350.51 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-9-yl)adamantane-1-carboxamide is sourced from PubChem (CID 3114091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).