8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C14H15ClN2O — CID 62203080

IUPAC8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(OC)ccc(Cl)c13)CCC2
InChIInChI=1S/C14H15ClN2O/c1-16-13-8-4-3-5-10(8)17-14-11(18-2)7-6-9(15)12(13)14/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeySCQLMTVTHJEIFJ-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.43
Rot. Bonds2

About 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 62203080) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID62203080
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCNc1c2c(nc3c(OC)ccc(Cl)c13)CCC2
InChIInChI=1S/C14H15ClN2O/c1-16-13-8-4-3-5-10(8)17-14-11(18-2)7-6-9(15)12(13)14/h6-7H,3-5H2,1-2H3,(H,16,17)
InChIKeySCQLMTVTHJEIFJ-UHFFFAOYSA-N
XLogP3.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 62203080) is 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is CNc1c2c(nc3c(OC)ccc(Cl)c13)CCC2.
What is the InChIKey of 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is SCQLMTVTHJEIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-16-13-8-4-3-5-10(8)17-14-11(18-2)7-6-9(15)12(13)14/h6-7H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 262.74 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 62203080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).