18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine

C18H20ClN3 — CID 70637280

IUPAC18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine
SMILESCN1c2ccccc2C2CC(N)CCN2c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN3/c1-21-15-5-3-2-4-14(15)17-11-13(20)8-9-22(17)18-10-12(19)6-7-16(18)21/h2-7,10,13,17H,8-9,11,20H2,1H3
InChIKeyQNNNSIYROPKNQY-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.09
Rot. Bonds

About 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine

18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine (PubChem CID 70637280) has the molecular formula C18H20ClN3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine.

Molecular Properties

Compound Name18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine
PubChem CID70637280
Molecular FormulaC18H20ClN3
Molecular Weight313.83 g/mol
Exact Mass313.13
IUPAC Name18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine
SMILESCN1c2ccccc2C2CC(N)CCN2c2cc(Cl)ccc21
InChIInChI=1S/C18H20ClN3/c1-21-15-5-3-2-4-14(15)17-11-13(20)8-9-22(17)18-10-12(19)6-7-16(18)21/h2-7,10,13,17H,8-9,11,20H2,1H3
InChIKeyQNNNSIYROPKNQY-UHFFFAOYSA-N
XLogP4.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine?
The IUPAC name of 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine (CID 70637280) is 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine.
What is the SMILES notation for 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine?
The canonical SMILES for 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine is CN1c2ccccc2C2CC(N)CCN2c2cc(Cl)ccc21.
What is the InChIKey of 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine?
The InChIKey is QNNNSIYROPKNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3/c1-21-15-5-3-2-4-14(15)17-11-13(20)8-9-22(17)18-10-12(19)6-7-16(18)21/h2-7,10,13,17H,8-9,11,20H2,1H3.
What are the key properties of 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine?
18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine has a molecular weight of 313.83 g/mol, XLogP of 4.09, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 18-chloro-14-methyl-2,14-diazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-5-amine is sourced from PubChem (CID 70637280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).