2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

C19H17ClN2O — CID 142007278

IUPAC2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESC=C1NCCc2c(-c3cc(Cl)ccc3OC)[nH]c3cccc1c23
InChIInChI=1S/C19H17ClN2O/c1-11-13-4-3-5-16-18(13)14(8-9-21-11)19(22-16)15-10-12(20)6-7-17(15)23-2/h3-7,10,21-22H,1,8-9H2,2H3
InChIKeyKFXGFZVEUWOXJD-UHFFFAOYSA-N
MW324.81 g/mol
LogP4.61
Rot. Bonds2

About 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene

2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (PubChem CID 142007278) has the molecular formula C19H17ClN2O and a molecular weight of 324.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
PubChem CID142007278
Molecular FormulaC19H17ClN2O
Molecular Weight324.81 g/mol
Exact Mass324.10
IUPAC Name2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene
SMILESC=C1NCCc2c(-c3cc(Cl)ccc3OC)[nH]c3cccc1c23
InChIInChI=1S/C19H17ClN2O/c1-11-13-4-3-5-16-18(13)14(8-9-21-11)19(22-16)15-10-12(20)6-7-17(15)23-2/h3-7,10,21-22H,1,8-9H2,2H3
InChIKeyKFXGFZVEUWOXJD-UHFFFAOYSA-N
XLogP4.61
TPSA37.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The IUPAC name of 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene (CID 142007278) is 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene.
What is the SMILES notation for 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The canonical SMILES for 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is C=C1NCCc2c(-c3cc(Cl)ccc3OC)[nH]c3cccc1c23.
What is the InChIKey of 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
The InChIKey is KFXGFZVEUWOXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O/c1-11-13-4-3-5-16-18(13)14(8-9-21-11)19(22-16)15-10-12(20)6-7-17(15)23-2/h3-7,10,21-22H,1,8-9H2,2H3.
What are the key properties of 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene?
2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene has a molecular weight of 324.81 g/mol, XLogP of 4.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyphenyl)-9-methylidene-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraene is sourced from PubChem (CID 142007278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).