(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene

C20H20Cl2N2 — CID 23518399

IUPAC(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
SMILESClc1cccc(-c2cc3c4c(c2)[C@H]2CNC[C@H]2CN4CCC3)c1Cl
InChIInChI=1S/C20H20Cl2N2/c21-18-5-1-4-15(19(18)22)13-7-12-3-2-6-24-11-14-9-23-10-17(14)16(8-13)20(12)24/h1,4-5,7-8,14,17,23H,2-3,6,9-11H2/t14-,17-/m0/s1
InChIKeyBNHNKQUZMHQJOX-YOEHRIQHSA-N
MW359.30 g/mol
LogP4.73
Rot. Bonds1

About (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene

(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene (PubChem CID 23518399) has the molecular formula C20H20Cl2N2 and a molecular weight of 359.30 g/mol. Its IUPAC name is (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene.

Molecular Properties

Compound Name(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
PubChem CID23518399
Molecular FormulaC20H20Cl2N2
Molecular Weight359.30 g/mol
Exact Mass358.10
IUPAC Name(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene
SMILESClc1cccc(-c2cc3c4c(c2)[C@H]2CNC[C@H]2CN4CCC3)c1Cl
InChIInChI=1S/C20H20Cl2N2/c21-18-5-1-4-15(19(18)22)13-7-12-3-2-6-24-11-14-9-23-10-17(14)16(8-13)20(12)24/h1,4-5,7-8,14,17,23H,2-3,6,9-11H2/t14-,17-/m0/s1
InChIKeyBNHNKQUZMHQJOX-YOEHRIQHSA-N
XLogP4.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.30
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The IUPAC name of (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene (CID 23518399) is (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene.
What is the SMILES notation for (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The canonical SMILES for (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene is Clc1cccc(-c2cc3c4c(c2)[C@H]2CNC[C@H]2CN4CCC3)c1Cl.
What is the InChIKey of (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
The InChIKey is BNHNKQUZMHQJOX-YOEHRIQHSA-N. The full InChI is InChI=1S/C20H20Cl2N2/c21-18-5-1-4-15(19(18)22)13-7-12-3-2-6-24-11-14-9-23-10-17(14)16(8-13)20(12)24/h1,4-5,7-8,14,17,23H,2-3,6,9-11H2/t14-,17-/m0/s1.
What are the key properties of (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene?
(10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene has a molecular weight of 359.30 g/mol, XLogP of 4.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-7-(2,3-dichlorophenyl)-1,12-diazatetracyclo[7.6.1.05,16.010,14]hexadeca-5(16),6,8-triene is sourced from PubChem (CID 23518399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).