4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one

C21H25ClN2O3 — CID 140883782

IUPAC4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCCC1)CCC3=O
InChIInChI=1S/C21H25ClN2O3/c1-26-18-12-15-16(23-21(22)14-6-7-17(25)20(14)15)13-19(18)27-11-5-10-24-8-3-2-4-9-24/h12-13H,2-11H2,1H3
InChIKeyYAIWHCOWRHIWFW-UHFFFAOYSA-N
MW388.90 g/mol
LogP4.28
Rot. Bonds6

About 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one

4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one (PubChem CID 140883782) has the molecular formula C21H25ClN2O3 and a molecular weight of 388.90 g/mol. Its IUPAC name is 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one.

Molecular Properties

Compound Name4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
PubChem CID140883782
Molecular FormulaC21H25ClN2O3
Molecular Weight388.90 g/mol
Exact Mass388.16
IUPAC Name4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
SMILESCOc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCCC1)CCC3=O
InChIInChI=1S/C21H25ClN2O3/c1-26-18-12-15-16(23-21(22)14-6-7-17(25)20(14)15)13-19(18)27-11-5-10-24-8-3-2-4-9-24/h12-13H,2-11H2,1H3
InChIKeyYAIWHCOWRHIWFW-UHFFFAOYSA-N
XLogP4.28
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 54.28
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'}

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Related Compounds

4-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-3H-furo[3,4-c]quinolin-1-one
CID 140883775
5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
CID 135155512
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135155259
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
CID 130345739
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056
6-chloro-2-methoxy-8-phenylmethoxy-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydrophenanthridine
CID 135155541
N-ethyl-7-methoxy-6-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 130345777
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
N-[8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-yl]acetamide
CID 135185225
N-ethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2,3-dihydro-1H-cyclopenta[c]quinolin-4-amine
CID 135185248

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one?
The IUPAC name of 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one (CID 140883782) is 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one.
What is the SMILES notation for 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one?
The canonical SMILES for 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one is COc1cc2c3c(c(Cl)nc2cc1OCCCN1CCCCC1)CCC3=O.
What is the InChIKey of 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one?
The InChIKey is YAIWHCOWRHIWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN2O3/c1-26-18-12-15-16(23-21(22)14-6-7-17(25)20(14)15)13-19(18)27-11-5-10-24-8-3-2-4-9-24/h12-13H,2-11H2,1H3.
What are the key properties of 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one?
4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one has a molecular weight of 388.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one is sourced from PubChem (CID 140883782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).