11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C15H16ClNO — CID 22004

IUPAC11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C15H16ClNO/c1-18-13-9-5-7-11-14(16)10-6-3-2-4-8-12(10)17-15(11)13/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUZPGPOWNZCKZNM-UHFFFAOYSA-N
MW261.75 g/mol
LogP4.17
Rot. Bonds1

About 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 22004) has the molecular formula C15H16ClNO and a molecular weight of 261.75 g/mol. Its IUPAC name is 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID22004
Molecular FormulaC15H16ClNO
Molecular Weight261.75 g/mol
Exact Mass261.09
IUPAC Name11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C15H16ClNO/c1-18-13-9-5-7-11-14(16)10-6-3-2-4-8-12(10)17-15(11)13/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUZPGPOWNZCKZNM-UHFFFAOYSA-N
XLogP4.17
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 22004) is 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is COc1cccc2c(Cl)c3c(nc12)CCCCC3.
What is the InChIKey of 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is UZPGPOWNZCKZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO/c1-18-13-9-5-7-11-14(16)10-6-3-2-4-8-12(10)17-15(11)13/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 261.75 g/mol, XLogP of 4.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-4-methoxy-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 22004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).