11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

C15H15ClFN — CID 114254573

IUPAC11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCc1ccc2c(Cl)c3c(nc2c1F)CCCCC3
InChIInChI=1S/C15H15ClFN/c1-9-7-8-11-13(16)10-5-3-2-4-6-12(10)18-15(11)14(9)17/h7-8H,2-6H2,1H3
InChIKeyHWSJUWFBZVRLMN-UHFFFAOYSA-N
MW263.74 g/mol
LogP4.60
Rot. Bonds

About 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline

11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (PubChem CID 114254573) has the molecular formula C15H15ClFN and a molecular weight of 263.74 g/mol. Its IUPAC name is 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.

Molecular Properties

Compound Name11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
PubChem CID114254573
Molecular FormulaC15H15ClFN
Molecular Weight263.74 g/mol
Exact Mass263.09
IUPAC Name11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
SMILESCc1ccc2c(Cl)c3c(nc2c1F)CCCCC3
InChIInChI=1S/C15H15ClFN/c1-9-7-8-11-13(16)10-5-3-2-4-6-12(10)18-15(11)14(9)17/h7-8H,2-6H2,1H3
InChIKeyHWSJUWFBZVRLMN-UHFFFAOYSA-N
XLogP4.60
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.74
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

11-chloro-17-azatetracyclo[8.7.0.02,7.012,16]heptadeca-1(10),2(7),8,11,16-pentaene
CID 55186181
9-chloro-5,8-difluoro-1,2,3,4-tetrahydroacridine
CID 61382811
4,11-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55186753
5-bromo-9-chloro-1,2,3,4-tetrahydroacridine
CID 63408990
9-chloro-6-fluoro-7-methyl-1,2,3,4-tetrahydroacridine
CID 103996089
11-chloro-4-(methoxymethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 63351322
11-chloro-2-methoxy-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 55185807
11-chloro-4-(2-methoxyethyl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
CID 102907667
10-chloro-7-fluoro-6-methyl-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 106471021
5,9-dichloro-7-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline
CID 63409268
11-chloro-14-oxa-18-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(10),2(7),8,11,17-pentaene
CID 106470978
6-fluoro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 62196283

Frequently Asked Questions

What is the IUPAC name of 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The IUPAC name of 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline (CID 114254573) is 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline.
What is the SMILES notation for 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The canonical SMILES for 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is Cc1ccc2c(Cl)c3c(nc2c1F)CCCCC3.
What is the InChIKey of 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
The InChIKey is HWSJUWFBZVRLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN/c1-9-7-8-11-13(16)10-5-3-2-4-6-12(10)18-15(11)14(9)17/h7-8H,2-6H2,1H3.
What are the key properties of 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline?
11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline has a molecular weight of 263.74 g/mol, XLogP of 4.60, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-chloro-4-fluoro-3-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline is sourced from PubChem (CID 114254573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).