11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C17H20ClNO — CID 102907667

IUPAC11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOCCc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C17H20ClNO/c1-20-11-10-12-6-5-8-14-16(18)13-7-3-2-4-9-15(13)19-17(12)14/h5-6,8H,2-4,7,9-11H2,1H3
InChIKeyDHBWUHUDTGVUKL-UHFFFAOYSA-N
MW289.81 g/mol
LogP4.35
Rot. Bonds3

About 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 102907667) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID102907667
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOCCc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C17H20ClNO/c1-20-11-10-12-6-5-8-14-16(18)13-7-3-2-4-9-15(13)19-17(12)14/h5-6,8H,2-4,7,9-11H2,1H3
InChIKeyDHBWUHUDTGVUKL-UHFFFAOYSA-N
XLogP4.35
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
5-benzyl-9-chloro-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408868
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
[6-(2-methoxyethyl)-3,4-dihydro-1H-pyrano[4,3-b]quinolin-10-yl]hydrazine
CID 106473795
9-chloro-5-ethoxy-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 61381987
11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 114254573
4-chloro-2-(2-methoxyethyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63350986
9-chloro-5-phenyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63408824
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807
11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
4-chloro-2-(3-methoxypropyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 65095175
9-(chloromethyl)-5-ethyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 82450114

Frequently Asked Questions

What is the IUPAC name of 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 102907667) is 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is COCCc1cccc2c(Cl)c3c(nc12)CCCCC3.
What is the InChIKey of 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is DHBWUHUDTGVUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-20-11-10-12-6-5-8-14-16(18)13-7-3-2-4-9-15(13)19-17(12)14/h5-6,8H,2-4,7,9-11H2,1H3.
What are the key properties of 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 289.81 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 102907667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).