9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

C16H18ClNO2 — CID 63408771

IUPAC9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCOc1ccc(OCC)c2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C16H18ClNO2/c1-3-19-12-8-9-13(20-4-2)16-14(12)15(17)10-6-5-7-11(10)18-16/h8-9H,3-7H2,1-2H3
InChIKeyAOZZCRAMBRKYHK-UHFFFAOYSA-N
MW291.78 g/mol
LogP4.17
Rot. Bonds4

About 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline

9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (PubChem CID 63408771) has the molecular formula C16H18ClNO2 and a molecular weight of 291.78 g/mol. Its IUPAC name is 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.

Molecular Properties

Compound Name9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
PubChem CID63408771
Molecular FormulaC16H18ClNO2
Molecular Weight291.78 g/mol
Exact Mass291.10
IUPAC Name9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
SMILESCCOc1ccc(OCC)c2c(Cl)c3c(nc12)CCC3
InChIInChI=1S/C16H18ClNO2/c1-3-19-12-8-9-13(20-4-2)16-14(12)15(17)10-6-5-7-11(10)18-16/h8-9H,3-7H2,1-2H3
InChIKeyAOZZCRAMBRKYHK-UHFFFAOYSA-N
XLogP4.17
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
8-bromo-9-chloro-5-methoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 54967603
4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 63351532
(4-ethoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 63482617
8-chloro-5-methoxy-N-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62203080
9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
CID 61382811
4-ethoxy-5,6,7,8-tetrahydroquinoline
CID 66713972
9-chloro-6,8-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381881
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
5-methoxy-8-methyl-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 63479903
N-(4-ethoxyphenyl)-N,2-dimethyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 73293920
(5-methoxy-8-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)hydrazine
CID 62252640

Frequently Asked Questions

What is the IUPAC name of 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The IUPAC name of 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline (CID 63408771) is 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline.
What is the SMILES notation for 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The canonical SMILES for 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is CCOc1ccc(OCC)c2c(Cl)c3c(nc12)CCC3.
What is the InChIKey of 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
The InChIKey is AOZZCRAMBRKYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2/c1-3-19-12-8-9-13(20-4-2)16-14(12)15(17)10-6-5-7-11(10)18-16/h8-9H,3-7H2,1-2H3.
What are the key properties of 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline?
9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline has a molecular weight of 291.78 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5,8-diethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline is sourced from PubChem (CID 63408771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).