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

C16H18ClNO — CID 63351322

IUPAC11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOCc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C16H18ClNO/c1-19-10-11-6-5-8-13-15(17)12-7-3-2-4-9-14(12)18-16(11)13/h5-6,8H,2-4,7,9-10H2,1H3
InChIKeyUDNCWRDFBBYLDE-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.30
Rot. Bonds2

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

11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 63351322) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID63351322
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOCc1cccc2c(Cl)c3c(nc12)CCCCC3
InChIInChI=1S/C16H18ClNO/c1-19-10-11-6-5-8-13-15(17)12-7-3-2-4-9-14(12)18-16(11)13/h5-6,8H,2-4,7,9-10H2,1H3
InChIKeyUDNCWRDFBBYLDE-UHFFFAOYSA-N
XLogP4.30
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 63351322) is 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is COCc1cccc2c(Cl)c3c(nc12)CCCCC3.
What is the InChIKey of 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is UDNCWRDFBBYLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-19-10-11-6-5-8-13-15(17)12-7-3-2-4-9-14(12)18-16(11)13/h5-6,8H,2-4,7,9-10H2,1H3.
What are the key properties of 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 275.78 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 63351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).