13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

C16H14ClN — CID 18715337

IUPAC13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESC=C1c2ccc(Cl)cc2CCc2ccc(C)nc21
InChIInChI=1S/C16H14ClN/c1-10-3-4-12-5-6-13-9-14(17)7-8-15(13)11(2)16(12)18-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyAYIBDLUDMDQUFE-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.20
Rot. Bonds

About 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (PubChem CID 18715337) has the molecular formula C16H14ClN and a molecular weight of 255.75 g/mol. Its IUPAC name is 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.

Molecular Properties

Compound Name13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
PubChem CID18715337
Molecular FormulaC16H14ClN
Molecular Weight255.75 g/mol
Exact Mass255.08
IUPAC Name13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
SMILESC=C1c2ccc(Cl)cc2CCc2ccc(C)nc21
InChIInChI=1S/C16H14ClN/c1-10-3-4-12-5-6-13-9-14(17)7-8-15(13)11(2)16(12)18-10/h3-4,7-9H,2,5-6H2,1H3
InChIKeyAYIBDLUDMDQUFE-UHFFFAOYSA-N
XLogP4.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenyl)-3-fluoro-6-methylpyridine
CID 170837737
6-chloro-2-methylidene-3,4-dihydronaphthalen-1-one
CID 84619132
2-(2,5-dichlorophenyl)-3,6-dimethylpyridine
CID 118830570
5,13-dichlorotricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene
CID 46177135
6-chloro-N,N-dimethyl-3,4-dihydroisoquinolin-1-amine
CID 141184088
6,13-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-one;ethane
CID 142278146
1,8-dichloro-3-(chloromethyl)-4-methyl-5,6-dihydro-2-benzazocine
CID 123235689
13-chloro-6-methyl-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene;ethane
CID 142002514
6-methyl-3-methylidene-1,2-dihydroindene
CID 58380222
2,7-dimethyl-9,10-dihydrophenanthrene
CID 23550290
N-(5-chloro-2,3-dihydroinden-1-ylidene)hydroxylamine;methoxymethane
CID 174673437
2,6,7-trimethyl-9H-indeno[2,1-b]pyridine
CID 59560989

Frequently Asked Questions

What is the IUPAC name of 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The IUPAC name of 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene (CID 18715337) is 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene.
What is the SMILES notation for 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The canonical SMILES for 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is C=C1c2ccc(Cl)cc2CCc2ccc(C)nc21.
What is the InChIKey of 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
The InChIKey is AYIBDLUDMDQUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN/c1-10-3-4-12-5-6-13-9-14(17)7-8-15(13)11(2)16(12)18-10/h3-4,7-9H,2,5-6H2,1H3.
What are the key properties of 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene?
13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene has a molecular weight of 255.75 g/mol, XLogP of 4.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-5-methyl-2-methylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene is sourced from PubChem (CID 18715337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).