(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine

C22H24ClN3O — CID 70289156

IUPAC(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
SMILESCCc1cc2ccc([C@](C)(N)[C@H]3CCc4c(Cl)ccnc43)cc2nc1OC
InChIInChI=1S/C22H24ClN3O/c1-4-13-11-14-5-6-15(12-19(14)26-21(13)27-3)22(2,24)17-8-7-16-18(23)9-10-25-20(16)17/h5-6,9-12,17H,4,7-8,24H2,1-3H3/t17-,22-/m0/s1
InChIKeyTWGAGZRQZIWFCA-JTSKRJEESA-N
MW381.91 g/mol
LogP4.76
Rot. Bonds4

About (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine

(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine (PubChem CID 70289156) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
PubChem CID70289156
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC Name(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine
SMILESCCc1cc2ccc([C@](C)(N)[C@H]3CCc4c(Cl)ccnc43)cc2nc1OC
InChIInChI=1S/C22H24ClN3O/c1-4-13-11-14-5-6-15(12-19(14)26-21(13)27-3)22(2,24)17-8-7-16-18(23)9-10-25-20(16)17/h5-6,9-12,17H,4,7-8,24H2,1-3H3/t17-,22-/m0/s1
InChIKeyTWGAGZRQZIWFCA-JTSKRJEESA-N
XLogP4.76
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine?
The IUPAC name of (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine (CID 70289156) is (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine.
What is the SMILES notation for (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine?
The canonical SMILES for (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine is CCc1cc2ccc([C@](C)(N)[C@H]3CCc4c(Cl)ccnc43)cc2nc1OC.
What is the InChIKey of (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine?
The InChIKey is TWGAGZRQZIWFCA-JTSKRJEESA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-4-13-11-14-5-6-15(12-19(14)26-21(13)27-3)22(2,24)17-8-7-16-18(23)9-10-25-20(16)17/h5-6,9-12,17H,4,7-8,24H2,1-3H3/t17-,22-/m0/s1.
What are the key properties of (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine?
(1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine has a molecular weight of 381.91 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(7R)-4-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl]-1-(3-ethyl-2-methoxyquinolin-7-yl)ethanamine is sourced from PubChem (CID 70289156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).