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

C26H39N3O4 — CID 135155617

IUPAC7-[3-(3,3-dimethylpyrrolidin-1-yl)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;formic acid
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCC(C)(C)C1)CCC3.O=CO
InChIInChI=1S/C25H37N3O2.CH2O2/c1-17(2)26-24-19-9-6-8-18(19)20-14-22(29-5)23(15-21(20)27-24)30-13-7-11-28-12-10-25(3,4)16-28;2-1-3/h14-15,17H,6-13,16H2,1-5H3,(H,26,27);1H,(H,2,3)
InChIKeyNJOWNMFEWGFMJE-UHFFFAOYSA-N
MW457.62 g/mol
LogP4.75
Rot. Bonds8

About 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

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 (PubChem CID 135155617) has the molecular formula C26H39N3O4 and a molecular weight of 457.62 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-[3-(3,3-dimethylpyrrolidin-1-yl)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;formic acid
PubChem CID135155617
Molecular FormulaC26H39N3O4
Molecular Weight457.62 g/mol
Exact Mass457.29
IUPAC Name7-[3-(3,3-dimethylpyrrolidin-1-yl)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine;formic acid
SMILESCOc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCC(C)(C)C1)CCC3.O=CO
InChIInChI=1S/C25H37N3O2.CH2O2/c1-17(2)26-24-19-9-6-8-18(19)20-14-22(29-5)23(15-21(20)27-24)30-13-7-11-28-12-10-25(3,4)16-28;2-1-3/h14-15,17H,6-13,16H2,1-5H3,(H,26,27);1H,(H,2,3)
InChIKeyNJOWNMFEWGFMJE-UHFFFAOYSA-N
XLogP4.75
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.62
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
7-[3-(dimethylamino)propoxy]-8-methoxy-N-propan-2-yl-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155852
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
formic acid;8-methoxy-N-[(3S)-oxolan-3-yl]-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135155651
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
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
[8-methoxy-7-(3-piperidin-1-ylpropoxy)-4-(propan-2-ylamino)-2,3-dihydro-1H-cyclopenta[c]quinolin-1-yl] formate
CID 135155523
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
CID 135155495
N-(2-deuteriopropan-2-yl)-8-methyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 147534886

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc2c3c(c(NC(C)C)nc2cc1OCCCN1CCC(C)(C)C1)CCC3.O=CO.
What is the InChIKey of 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?
The InChIKey is NJOWNMFEWGFMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O2.CH2O2/c1-17(2)26-24-19-9-6-8-18(19)20-14-22(29-5)23(15-21(20)27-24)30-13-7-11-28-12-10-25(3,4)16-28;2-1-3/h14-15,17H,6-13,16H2,1-5H3,(H,26,27);1H,(H,2,3).
What are the key properties of 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?
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 has a molecular weight of 457.62 g/mol, XLogP of 4.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135155617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).