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

C27H33N3O — CID 135194580

IUPACN,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1cc2c3c(c(N(C)c4ccccc4)nc2cc1OCCCN1CCCC1)CCC3
InChIInChI=1S/C27H33N3O/c1-20-18-24-22-12-8-13-23(22)27(29(2)21-10-4-3-5-11-21)28-25(24)19-26(20)31-17-9-16-30-14-6-7-15-30/h3-5,10-11,18-19H,6-9,12-17H2,1-2H3
InChIKeyRTKBHZGMVGTGKG-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.66
Rot. Bonds7

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

N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 135194580) has the molecular formula C27H33N3O and a molecular weight of 415.58 g/mol. Its IUPAC name is N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound NameN,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID135194580
Molecular FormulaC27H33N3O
Molecular Weight415.58 g/mol
Exact Mass415.26
IUPAC NameN,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCc1cc2c3c(c(N(C)c4ccccc4)nc2cc1OCCCN1CCCC1)CCC3
InChIInChI=1S/C27H33N3O/c1-20-18-24-22-12-8-13-23(22)27(29(2)21-10-4-3-5-11-21)28-25(24)19-26(20)31-17-9-16-30-14-6-7-15-30/h3-5,10-11,18-19H,6-9,12-17H2,1-2H3
InChIKeyRTKBHZGMVGTGKG-UHFFFAOYSA-N
XLogP5.66
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine with MolForge

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Related Compounds

8-methoxy-N-methyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;2,2,2-trifluoroacetic acid
CID 135185202
8-methyl-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135194523
N-cyclohexa-1,5-dien-3-yn-1-yl-8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 155273495
N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 147534886
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
cis-(1S,3R)-3-[[2-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]cyclopentan-1-ol
CID 137479021
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
6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 135155541
N,N-dimethyl-2-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 90720781

Frequently Asked Questions

What is the IUPAC name of N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 135194580) is N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is Cc1cc2c3c(c(N(C)c4ccccc4)nc2cc1OCCCN1CCCC1)CCC3.
What is the InChIKey of N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is RTKBHZGMVGTGKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O/c1-20-18-24-22-12-8-13-23(22)27(29(2)21-10-4-3-5-11-21)28-25(24)19-26(20)31-17-9-16-30-14-6-7-15-30/h3-5,10-11,18-19H,6-9,12-17H2,1-2H3.
What are the key properties of N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 415.58 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,8-dimethyl-N-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 135194580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).