7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

C24H31N5O2 — CID 130345942

IUPAC7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2c(Nc3ccn(C)n3)c3c(nc2cc1OCCCN1CCCC1)CCC3
InChIInChI=1S/C24H31N5O2/c1-28-13-9-23(27-28)26-24-17-7-5-8-19(17)25-20-16-22(21(30-2)15-18(20)24)31-14-6-12-29-10-3-4-11-29/h9,13,15-16H,3-8,10-12,14H2,1-2H3,(H,25,26,27)
InChIKeySUYYAZOFNBSYKY-UHFFFAOYSA-N
MW421.55 g/mol
LogP4.07
Rot. Bonds8

About 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine

7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (PubChem CID 130345942) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.

Molecular Properties

Compound Name7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
PubChem CID130345942
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
SMILESCOc1cc2c(Nc3ccn(C)n3)c3c(nc2cc1OCCCN1CCCC1)CCC3
InChIInChI=1S/C24H31N5O2/c1-28-13-9-23(27-28)26-24-17-7-5-8-19(17)25-20-16-22(21(30-2)15-18(20)24)31-14-6-12-29-10-3-4-11-29/h9,13,15-16H,3-8,10-12,14H2,1-2H3,(H,25,26,27)
InChIKeySUYYAZOFNBSYKY-UHFFFAOYSA-N
XLogP4.07
TPSA64.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
7-methoxy-N-(2-methylpropyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345712
N-cyclobutyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine
CID 175854650
7-methoxy-N-[(1-methylcyclobutyl)methyl]-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 137478936
7-methoxy-N-(2-methylbutyl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345727
N-(cyclopropylmethyl)-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine;formic acid
CID 130345854
7-methoxy-N-methyl-6-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydroacridin-9-amine;2,2,2-trifluoroacetic acid
CID 130345766
4-[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]-1-methylpiperidin-2-one
CID 130345852
1-[3-[[7-methoxy-9-(methylamino)-2,3-dihydro-1H-cyclopenta[b]quinolin-6-yl]oxy]propyl]-3-methylazetidin-3-ol
CID 130345842
6-[3-(2,5-dimethylpyrrolidin-1-yl)propoxy]-7-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 155298311
3-[[[7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl]amino]methyl]-2-methylazetidine-1-carboxylic acid
CID 166664736

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The IUPAC name of 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine (CID 130345942) is 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine.
What is the SMILES notation for 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The canonical SMILES for 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is COc1cc2c(Nc3ccn(C)n3)c3c(nc2cc1OCCCN1CCCC1)CCC3.
What is the InChIKey of 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
The InChIKey is SUYYAZOFNBSYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28-13-9-23(27-28)26-24-17-7-5-8-19(17)25-20-16-22(21(30-2)15-18(20)24)31-14-6-12-29-10-3-4-11-29/h9,13,15-16H,3-8,10-12,14H2,1-2H3,(H,25,26,27).
What are the key properties of 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine?
7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine has a molecular weight of 421.55 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-(1-methylpyrazol-3-yl)-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine is sourced from PubChem (CID 130345942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).