2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

C18H15ClN2 — CID 142007269

IUPAC2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESC=C1NCCc2c(-c3cccc(Cl)c3)[nH]c3cccc1c23
InChIInChI=1S/C18H15ClN2/c1-11-14-6-3-7-16-17(14)15(8-9-20-11)18(21-16)12-4-2-5-13(19)10-12/h2-7,10,20-21H,1,8-9H2
InChIKeyFLOAGNMMYUPLAF-UHFFFAOYSA-N
MW294.79 g/mol
LogP4.60
Rot. Bonds1

About 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (PubChem CID 142007269) has the molecular formula C18H15ClN2 and a molecular weight of 294.79 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.

Molecular Properties

Compound Name2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
PubChem CID142007269
Molecular FormulaC18H15ClN2
Molecular Weight294.79 g/mol
Exact Mass294.09
IUPAC Name2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESC=C1NCCc2c(-c3cccc(Cl)c3)[nH]c3cccc1c23
InChIInChI=1S/C18H15ClN2/c1-11-14-6-3-7-16-17(14)15(8-9-20-11)18(21-16)12-4-2-5-13(19)10-12/h2-7,10,20-21H,1,8-9H2
InChIKeyFLOAGNMMYUPLAF-UHFFFAOYSA-N
XLogP4.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
CID 142007278
2-(4-chlorophenyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9-thione
CID 142007218
2-phenyl-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene-9-thione
CID 11832752
2-[3-[2-(dimethylamino)ethyl]phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one
CID 142007226
1-[4-(6-fluoro-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]-N-methylmethanamine
CID 135196122
2-[4-(9-cyclopentylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-2-yl)phenyl]-N,N-diethylethanamine
CID 142007208
8-(3-chlorophenyl)-7H-benzo[c]carbazole
CID 145419287
2-[4-(methylaminomethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one;phosphoric acid
CID 138741061
1-(3-chlorophenyl)-3-sulfanylidene-5,6,7,8-tetrahydro-2H-isoquinoline-4-carbonitrile
CID 2346933
10-(3,4-dichlorophenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole;hydrochloride
CID 22396959
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
dimethyl-[[3-(7-oxo-2,6-diazatricyclo[6.3.1.04,12]dodeca-1(11),3,8(12),9-tetraen-3-yl)phenyl]methyl]azanium
CID 163819449

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The IUPAC name of 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (CID 142007269) is 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
What is the SMILES notation for 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The canonical SMILES for 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is C=C1NCCc2c(-c3cccc(Cl)c3)[nH]c3cccc1c23.
What is the InChIKey of 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The InChIKey is FLOAGNMMYUPLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2/c1-11-14-6-3-7-16-17(14)15(8-9-20-11)18(21-16)12-4-2-5-13(19)10-12/h2-7,10,20-21H,1,8-9H2.
What are the key properties of 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene has a molecular weight of 294.79 g/mol, XLogP of 4.60, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is sourced from PubChem (CID 142007269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).