6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

C19H18ClN3O2 — CID 44567396

IUPAC6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCN(CCO)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3
InChIKeyYNCNPACQCPGDEK-UHFFFAOYSA-N
MW355.83 g/mol
LogP2.83
Rot. Bonds5

About 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one

6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (PubChem CID 44567396) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.

Molecular Properties

Compound Name6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
PubChem CID44567396
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one
SMILESCN(CCO)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2
InChIInChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3
InChIKeyYNCNPACQCPGDEK-UHFFFAOYSA-N
XLogP2.83
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The IUPAC name of 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one (CID 44567396) is 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one.
What is the SMILES notation for 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The canonical SMILES for 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is CN(CCO)CCn1nc2c3c(cccc31)C(=O)c1c(Cl)cccc1-2.
What is the InChIKey of 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
The InChIKey is YNCNPACQCPGDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-22(10-11-24)8-9-23-15-7-3-5-13-17(15)18(21-23)12-4-2-6-14(20)16(12)19(13)25/h2-7,24H,8-11H2,1H3.
What are the key properties of 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one?
6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one has a molecular weight of 355.83 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-14-[2-[2-hydroxyethyl(methyl)amino]ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(15),2(7),3,5,9(16),10,12-heptaen-8-one is sourced from PubChem (CID 44567396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).