11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C16H18ClNO — CID 55185807

IUPAC11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cc(C)c2nc3c(c(Cl)c2c1)CCCCC3
InChIInChI=1S/C16H18ClNO/c1-10-8-11(19-2)9-13-15(17)12-6-4-3-5-7-14(12)18-16(10)13/h8-9H,3-7H2,1-2H3
InChIKeyDDCPPAQHBZBPJZ-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.47
Rot. Bonds1

About 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 55185807) has the molecular formula C16H18ClNO and a molecular weight of 275.78 g/mol. Its IUPAC name is 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID55185807
Molecular FormulaC16H18ClNO
Molecular Weight275.78 g/mol
Exact Mass275.11
IUPAC Name11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCOc1cc(C)c2nc3c(c(Cl)c2c1)CCCCC3
InChIInChI=1S/C16H18ClNO/c1-10-8-11(19-2)9-13-15(17)12-6-4-3-5-7-14(12)18-16(10)13/h8-9H,3-7H2,1-2H3
InChIKeyDDCPPAQHBZBPJZ-UHFFFAOYSA-N
XLogP4.47
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 55185807) is 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is COc1cc(C)c2nc3c(c(Cl)c2c1)CCCCC3.
What is the InChIKey of 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is DDCPPAQHBZBPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO/c1-10-8-11(19-2)9-13-15(17)12-6-4-3-5-7-14(12)18-16(10)13/h8-9H,3-7H2,1-2H3.
What are the key properties of 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 275.78 g/mol, XLogP of 4.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 55185807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).