N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide

C18H21N3O2 — CID 166303230

IUPACN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CC4CNCC4C3)ncc2c1
InChIInChI=1S/C18H21N3O2/c1-23-16-3-2-11-7-17(20-10-14(11)6-16)18(22)21-15-4-12-8-19-9-13(12)5-15/h2-3,6-7,10,12-13,15,19H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyKGKBKXJXPGMQNY-UHFFFAOYSA-N
MW311.38 g/mol
LogP1.97
Rot. Bonds3

About N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide

N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide (PubChem CID 166303230) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide
PubChem CID166303230
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC NameN-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide
SMILESCOc1ccc2cc(C(=O)NC3CC4CNCC4C3)ncc2c1
InChIInChI=1S/C18H21N3O2/c1-23-16-3-2-11-7-17(20-10-14(11)6-16)18(22)21-15-4-12-8-19-9-13(12)5-15/h2-3,6-7,10,12-13,15,19H,4-5,8-9H2,1H3,(H,21,22)
InChIKeyKGKBKXJXPGMQNY-UHFFFAOYSA-N
XLogP1.97
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-methoxyisoquinoline-3-carboxamide
CID 166310731
N-(4-methylcyclohexyl)isoquinoline-3-carboxamide
CID 22136395
N-cyclopentyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109182280
N-(3-isothiocyanatocyclobutyl)-5-(4-methoxyphenyl)pyrazine-2-carboxamide;molecular hydrogen
CID 153363159
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
CID 167790207
3-chloro-7-methoxyisoquinoline
CID 53425565
N-cyclopropyl-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109179866
N-(2,5-dimethoxyphenyl)isoquinoline-3-carboxamide
CID 110860541
7-methoxy-2-methyl-N-piperidin-3-ylquinoline-3-carboxamide;hydrochloride
CID 119424266
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxyquinoline-2-carboxamide;dihydrochloride
CID 120946976
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
ethyl 5-[(7-methoxyisoquinoline-3-carbonyl)amino]-1H-indole-2-carboxylate
CID 10596479

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide?
The IUPAC name of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide (CID 166303230) is N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide.
What is the SMILES notation for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide?
The canonical SMILES for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide is COc1ccc2cc(C(=O)NC3CC4CNCC4C3)ncc2c1.
What is the InChIKey of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide?
The InChIKey is KGKBKXJXPGMQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-23-16-3-2-11-7-17(20-10-14(11)6-16)18(22)21-15-4-12-8-19-9-13(12)5-15/h2-3,6-7,10,12-13,15,19H,4-5,8-9H2,1H3,(H,21,22).
What are the key properties of N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide?
N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-yl)-7-methoxyisoquinoline-3-carboxamide is sourced from PubChem (CID 166303230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).