4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline

C18H21ClN2O — CID 167284419

IUPAC4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline
SMILESCOc1cc2nccc(N3CCC4CCC[C@H]4C3)c2cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-22-18-10-16-14(9-15(18)19)17(5-7-20-16)21-8-6-12-3-2-4-13(12)11-21/h5,7,9-10,12-13H,2-4,6,8,11H2,1H3/t12?,13-/m0/s1
InChIKeyQLADSVPAEYMHKJ-ABLWVSNPSA-N
MW316.83 g/mol
LogP4.52
Rot. Bonds2

About 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline

4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline (PubChem CID 167284419) has the molecular formula C18H21ClN2O and a molecular weight of 316.83 g/mol. Its IUPAC name is 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline.

Molecular Properties

Compound Name4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline
PubChem CID167284419
Molecular FormulaC18H21ClN2O
Molecular Weight316.83 g/mol
Exact Mass316.13
IUPAC Name4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline
SMILESCOc1cc2nccc(N3CCC4CCC[C@H]4C3)c2cc1Cl
InChIInChI=1S/C18H21ClN2O/c1-22-18-10-16-14(9-15(18)19)17(5-7-20-16)21-8-6-12-3-2-4-13(12)11-21/h5,7,9-10,12-13H,2-4,6,8,11H2,1H3/t12?,13-/m0/s1
InChIKeyQLADSVPAEYMHKJ-ABLWVSNPSA-N
XLogP4.52
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.83
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline?
The IUPAC name of 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline (CID 167284419) is 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline.
What is the SMILES notation for 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline?
The canonical SMILES for 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline is COc1cc2nccc(N3CCC4CCC[C@H]4C3)c2cc1Cl.
What is the InChIKey of 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline?
The InChIKey is QLADSVPAEYMHKJ-ABLWVSNPSA-N. The full InChI is InChI=1S/C18H21ClN2O/c1-22-18-10-16-14(9-15(18)19)17(5-7-20-16)21-8-6-12-3-2-4-13(12)11-21/h5,7,9-10,12-13H,2-4,6,8,11H2,1H3/t12?,13-/m0/s1.
What are the key properties of 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline?
4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline has a molecular weight of 316.83 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7aR)-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-yl]-6-chloro-7-methoxyquinoline is sourced from PubChem (CID 167284419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).