N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C25H28ClN3O2 — CID 153164660

IUPACN-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN(c5cccc(Cl)c5)CC4)c2cc1OC)CCC3
InChIInChI=1S/C25H28ClN3O2/c1-30-23-14-20-22(15-24(23)31-2)28-21-8-4-7-19(21)25(20)27-17-9-11-29(12-10-17)18-6-3-5-16(26)13-18/h3,5-6,13-15,17H,4,7-12H2,1-2H3,(H,27,28)
InChIKeyWDABODHFNRKFGZ-UHFFFAOYSA-N
MW437.97 g/mol
LogP5.47
Rot. Bonds5

About N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 153164660) has the molecular formula C25H28ClN3O2 and a molecular weight of 437.97 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID153164660
Molecular FormulaC25H28ClN3O2
Molecular Weight437.97 g/mol
Exact Mass437.19
IUPAC NameN-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2nc3c(c(NC4CCN(c5cccc(Cl)c5)CC4)c2cc1OC)CCC3
InChIInChI=1S/C25H28ClN3O2/c1-30-23-14-20-22(15-24(23)31-2)28-21-8-4-7-19(21)25(20)27-17-9-11-29(12-10-17)18-6-3-5-16(26)13-18/h3,5-6,13-15,17H,4,7-12H2,1-2H3,(H,27,28)
InChIKeyWDABODHFNRKFGZ-UHFFFAOYSA-N
XLogP5.47
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 153164660) is N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2nc3c(c(NC4CCN(c5cccc(Cl)c5)CC4)c2cc1OC)CCC3.
What is the InChIKey of N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is WDABODHFNRKFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN3O2/c1-30-23-14-20-22(15-24(23)31-2)28-21-8-4-7-19(21)25(20)27-17-9-11-29(12-10-17)18-6-3-5-16(26)13-18/h3,5-6,13-15,17H,4,7-12H2,1-2H3,(H,27,28).
What are the key properties of N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 437.97 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)piperidin-4-yl]-6,7-dimethoxy-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 153164660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).