5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline

C20H25ClN2O3 — CID 135155249

IUPAC5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3
InChIInChI=1S/C20H25ClN2O3/c1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h11-12H,2-10,13H2,1H3
InChIKeyMNOWIUHSNWPANS-UHFFFAOYSA-N
MW376.88 g/mol
LogP3.83
Rot. Bonds6

About 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline

5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline (PubChem CID 135155249) has the molecular formula C20H25ClN2O3 and a molecular weight of 376.88 g/mol. Its IUPAC name is 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline.

Molecular Properties

Compound Name5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
PubChem CID135155249
Molecular FormulaC20H25ClN2O3
Molecular Weight376.88 g/mol
Exact Mass376.16
IUPAC Name5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3
InChIInChI=1S/C20H25ClN2O3/c1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h11-12H,2-10,13H2,1H3
InChIKeyMNOWIUHSNWPANS-UHFFFAOYSA-N
XLogP3.83
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.88
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline with MolForge

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Related Compounds

5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
CID 135155512
N-ethyl-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinolin-5-amine;formic acid
CID 135155495
4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-3H-furo[3,4-c]quinolin-1-one
CID 140883775
4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
CID 140883782
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155664
6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135155259
6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 135155541
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248
4-(4-fluorocyclohexyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinoline
CID 135185179
formic acid;8-methoxy-N-methyl-7-(3-pyrrolidin-1-ylpropoxy)-1,3-dihydrofuro[3,4-c]quinolin-4-amine
CID 135155727
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
8-methoxy-N-(1-methylcyclopropyl)-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185060

Frequently Asked Questions

What is the IUPAC name of 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline?
The IUPAC name of 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline (CID 135155249) is 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline.
What is the SMILES notation for 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline?
The canonical SMILES for 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline is COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCC1)COCC3.
What is the InChIKey of 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline?
The InChIKey is MNOWIUHSNWPANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O3/c1-24-18-11-15-14-5-10-25-13-16(14)20(21)22-17(15)12-19(18)26-9-4-8-23-6-2-3-7-23/h11-12H,2-10,13H2,1H3.
What are the key properties of 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline?
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline has a molecular weight of 376.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline is sourced from PubChem (CID 135155249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).