4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline

C26H35N3O2 — CID 135155324

IUPAC4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1cc2c3c(c(C4=CCCC4)nc2cc1OCCCN1CCCC1)CC(C)(C)N3
InChIInChI=1S/C26H35N3O2/c1-26(2)17-20-24(18-9-4-5-10-18)27-21-16-23(22(30-3)15-19(21)25(20)28-26)31-14-8-13-29-11-6-7-12-29/h9,15-16,28H,4-8,10-14,17H2,1-3H3
InChIKeyUJGJOXLNDBMCBH-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.42
Rot. Bonds7

About 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline

4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline (PubChem CID 135155324) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline.

Molecular Properties

Compound Name4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline
PubChem CID135155324
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline
SMILESCOc1cc2c3c(c(C4=CCCC4)nc2cc1OCCCN1CCCC1)CC(C)(C)N3
InChIInChI=1S/C26H35N3O2/c1-26(2)17-20-24(18-9-4-5-10-18)27-21-16-23(22(30-3)15-19(21)25(20)28-26)31-14-8-13-29-11-6-7-12-29/h9,15-16,28H,4-8,10-14,17H2,1-3H3
InChIKeyUJGJOXLNDBMCBH-UHFFFAOYSA-N
XLogP5.42
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.42
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

9-methoxy-2,5-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine
CID 135155398
4-cyclopentyl-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;5-cyclopropyl-2,9-dimethyl-8-(3-pyrrolidin-1-ylpropoxy)-1,2,3,4-tetrahydrobenzo[h][1,6]naphthyridine;4-cyclopropyl-2,2,8-trimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;methane;8-methyl-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline;2,2,8-trimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline
CID 162032053
6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135155259
1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356310
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060
10-methoxy-6-propan-2-yl-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135185162
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135155449
N-(cyclobutylmethyl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrocyclopenta[c]quinolin-4-amine
CID 135185174
4,8-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline;8-methoxy-2,2-dimethyl-4-phenyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline;2-methoxy-6-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine;8-methyl-4-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline;8-methyl-4-(oxolan-3-yl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline;2-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 160667160
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
CID 140883782
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline?
The IUPAC name of 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline (CID 135155324) is 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline.
What is the SMILES notation for 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline?
The canonical SMILES for 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline is COc1cc2c3c(c(C4=CCCC4)nc2cc1OCCCN1CCCC1)CC(C)(C)N3.
What is the InChIKey of 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline?
The InChIKey is UJGJOXLNDBMCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-26(2)17-20-24(18-9-4-5-10-18)27-21-16-23(22(30-3)15-19(21)25(20)28-26)31-14-8-13-29-11-6-7-12-29/h9,15-16,28H,4-8,10-14,17H2,1-3H3.
What are the key properties of 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline?
4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline has a molecular weight of 421.59 g/mol, XLogP of 5.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopenten-1-yl)-8-methoxy-2,2-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydropyrrolo[3,2-c]quinoline is sourced from PubChem (CID 135155324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).