(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one

C24H28N2O — CID 163142450

IUPAC(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one
SMILESCCN(CC)CC[C@@H]1Cc2ccccc2C(=O)c2c1n(C)c1ccccc21
InChIInChI=1S/C24H28N2O/c1-4-26(5-2)15-14-18-16-17-10-6-7-11-19(17)24(27)22-20-12-8-9-13-21(20)25(3)23(18)22/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1
InChIKeyKHGVQMCNGRUSNM-GOSISDBHSA-N
MW360.50 g/mol
LogP4.78
Rot. Bonds5

About (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one

(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one (PubChem CID 163142450) has the molecular formula C24H28N2O and a molecular weight of 360.50 g/mol. Its IUPAC name is (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one.

Molecular Properties

Compound Name(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one
PubChem CID163142450
Molecular FormulaC24H28N2O
Molecular Weight360.50 g/mol
Exact Mass360.22
IUPAC Name(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one
SMILESCCN(CC)CC[C@@H]1Cc2ccccc2C(=O)c2c1n(C)c1ccccc21
InChIInChI=1S/C24H28N2O/c1-4-26(5-2)15-14-18-16-17-10-6-7-11-19(17)24(27)22-20-12-8-9-13-21(20)25(3)23(18)22/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1
InChIKeyKHGVQMCNGRUSNM-GOSISDBHSA-N
XLogP4.78
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one?
The IUPAC name of (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one (CID 163142450) is (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one.
What is the SMILES notation for (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one?
The canonical SMILES for (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one is CCN(CC)CC[C@@H]1Cc2ccccc2C(=O)c2c1n(C)c1ccccc21.
What is the InChIKey of (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one?
The InChIKey is KHGVQMCNGRUSNM-GOSISDBHSA-N. The full InChI is InChI=1S/C24H28N2O/c1-4-26(5-2)15-14-18-16-17-10-6-7-11-19(17)24(27)22-20-12-8-9-13-21(20)25(3)23(18)22/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1.
What are the key properties of (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one?
(10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one has a molecular weight of 360.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-[2-(diethylamino)ethyl]-12-methyl-12-azatetracyclo[9.7.0.03,8.013,18]octadeca-1(11),3,5,7,13,15,17-heptaen-2-one is sourced from PubChem (CID 163142450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).