15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one

C19H21ClN6O3 — CID 110219784

IUPAC15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one
SMILESCC1CN(C(=O)Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)CC(C)O1
InChIInChI=1S/C19H21ClN6O3/c1-11-8-23(9-12(2)29-11)16(27)10-25-19(28)26-15-7-13(20)3-4-14(15)17-21-5-6-24(17)18(26)22-25/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyLSWIAJBCPAOGOK-UHFFFAOYSA-N
MW416.87 g/mol
LogP0.90
Rot. Bonds2

About 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one

15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one (PubChem CID 110219784) has the molecular formula C19H21ClN6O3 and a molecular weight of 416.87 g/mol. Its IUPAC name is 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one.

Molecular Properties

Compound Name15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one
PubChem CID110219784
Molecular FormulaC19H21ClN6O3
Molecular Weight416.87 g/mol
Exact Mass416.14
IUPAC Name15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one
SMILESCC1CN(C(=O)Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)CC(C)O1
InChIInChI=1S/C19H21ClN6O3/c1-11-8-23(9-12(2)29-11)16(27)10-25-19(28)26-15-7-13(20)3-4-14(15)17-21-5-6-24(17)18(26)22-25/h3-4,7,11-12H,5-6,8-10H2,1-2H3
InChIKeyLSWIAJBCPAOGOK-UHFFFAOYSA-N
XLogP0.90
TPSA84.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.87
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one?
The IUPAC name of 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one (CID 110219784) is 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one.
What is the SMILES notation for 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one?
The canonical SMILES for 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one is CC1CN(C(=O)Cn2nc3n(c2=O)-c2cc(Cl)ccc2C2=NCCN23)CC(C)O1.
What is the InChIKey of 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one?
The InChIKey is LSWIAJBCPAOGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O3/c1-11-8-23(9-12(2)29-11)16(27)10-25-19(28)26-15-7-13(20)3-4-14(15)17-21-5-6-24(17)18(26)22-25/h3-4,7,11-12H,5-6,8-10H2,1-2H3.
What are the key properties of 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one?
15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one has a molecular weight of 416.87 g/mol, XLogP of 0.90, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 15-chloro-4-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-2,4,5,7,10-pentazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),5,10,13,15-pentaen-3-one is sourced from PubChem (CID 110219784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).