N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

C23H33N3O — CID 147534886

IUPACN-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILES[2H]C(C)(C)Nc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CCC2
InChIInChI=1S/C23H33N3O/c1-16(2)24-23-19-9-6-8-18(19)20-14-17(3)22(15-21(20)25-23)27-13-7-12-26-10-4-5-11-26/h14-16H,4-13H2,1-3H3,(H,24,25)/i16D
InChIKeyFNTQGYWWVBMUNG-QNLPYAOMSA-N
MW368.54 g/mol
LogP4.72
Rot. Bonds7

About N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 147534886) has the molecular formula C23H33N3O and a molecular weight of 368.54 g/mol. Its IUPAC name is N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound NameN-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID147534886
Molecular FormulaC23H33N3O
Molecular Weight368.54 g/mol
Exact Mass368.27
IUPAC NameN-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILES[2H]C(C)(C)Nc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CCC2
InChIInChI=1S/C23H33N3O/c1-16(2)24-23-19-9-6-8-18(19)20-14-17(3)22(15-21(20)25-23)27-13-7-12-26-10-4-5-11-26/h14-16H,4-13H2,1-3H3,(H,24,25)/i16D
InChIKeyFNTQGYWWVBMUNG-QNLPYAOMSA-N
XLogP4.72
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.54
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-cyclobutylethyl]-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135194635
2-methyl-3-(3-pyrrolidin-1-ylpropoxy)-N-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydrophenanthridin-6-amine
CID 135194579
8-methyl-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135194523
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185023
N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135194580
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
8-methoxy-N-(2-methylpropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 135185022
N-ethyl-3,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-3,4-dihydro-1H-pyrano[4,3-c]quinolin-5-amine
CID 135194673
8-methoxy-N-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 162054234

Frequently Asked Questions

What is the IUPAC name of N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 147534886) is N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is [2H]C(C)(C)Nc1nc2cc(OCCCN3CCCC3)c(C)cc2c2c1CCC2.
What is the InChIKey of N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is FNTQGYWWVBMUNG-QNLPYAOMSA-N. The full InChI is InChI=1S/C23H33N3O/c1-16(2)24-23-19-9-6-8-18(19)20-14-17(3)22(15-21(20)25-23)27-13-7-12-26-10-4-5-11-26/h14-16H,4-13H2,1-3H3,(H,24,25)/i16D.
What are the key properties of N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 368.54 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 147534886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).