7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

C21H31N3O2 — CID 135155852

IUPAC7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN(C)C)CCC3
InChIInChI=1S/C21H31N3O2/c1-14(2)22-21-16-9-6-8-15(16)17-12-19(25-5)20(13-18(17)23-21)26-11-7-10-24(3)4/h12-14H,6-11H2,1-5H3,(H,22,23)
InChIKeyGULQKGIBWCGBCN-UHFFFAOYSA-N
MW357.50 g/mol
LogP3.88
Rot. Bonds8

About 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine

7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (PubChem CID 135155852) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.

Molecular Properties

Compound Name7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
PubChem CID135155852
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN(C)C)CCC3
InChIInChI=1S/C21H31N3O2/c1-14(2)22-21-16-9-6-8-15(16)17-12-19(25-5)20(13-18(17)23-21)26-11-7-10-24(3)4/h12-14H,6-11H2,1-5H3,(H,22,23)
InChIKeyGULQKGIBWCGBCN-UHFFFAOYSA-N
XLogP3.88
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[3-(3,3-dimethylpyrrolidin-1-yl)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;formic acid
CID 135155617
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
CID 135185023
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
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-(3-methylcyclopentyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 162054234
(1S,3S)-8-methoxy-1,3-dimethyl-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135185166
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-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 147534886
[8-methoxy-7-(3-piperidin-1-ylpropoxy)-4-(propan-2-ylamino)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155523
N-[7-[3-(dimethylamino)propoxy]-6-methoxyquinazolin-4-yl]-4-methoxybenzenesulfonamide
CID 10204016

Frequently Asked Questions

What is the IUPAC name of 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The IUPAC name of 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine (CID 135155852) is 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine.
What is the SMILES notation for 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The canonical SMILES for 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is COc1cc2c3c(c(NC(C)C)nc2cc1OCCCN(C)C)CCC3.
What is the InChIKey of 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
The InChIKey is GULQKGIBWCGBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-14(2)22-21-16-9-6-8-15(16)17-12-19(25-5)20(13-18(17)23-21)26-11-7-10-24(3)4/h12-14H,6-11H2,1-5H3,(H,22,23).
What are the key properties of 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine?
7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine has a molecular weight of 357.50 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine is sourced from PubChem (CID 135155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).