6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene

C16H13ClN2O2 — CID 139218359

IUPAC6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
SMILESCCc1nc(Cl)c2c(n1)-c1oc3ccccc3c1OCC2
InChIInChI=1S/C16H13ClN2O2/c1-2-12-18-13-10(16(17)19-12)7-8-20-14-9-5-3-4-6-11(9)21-15(13)14/h3-6H,2,7-8H2,1H3
InChIKeyRNSSIGTXFXPBLL-UHFFFAOYSA-N
MW300.75 g/mol
LogP4.04
Rot. Bonds1

About 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene

6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene (PubChem CID 139218359) has the molecular formula C16H13ClN2O2 and a molecular weight of 300.75 g/mol. Its IUPAC name is 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene.

Molecular Properties

Compound Name6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
PubChem CID139218359
Molecular FormulaC16H13ClN2O2
Molecular Weight300.75 g/mol
Exact Mass300.07
IUPAC Name6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
SMILESCCc1nc(Cl)c2c(n1)-c1oc3ccccc3c1OCC2
InChIInChI=1S/C16H13ClN2O2/c1-2-12-18-13-10(16(17)19-12)7-8-20-14-9-5-3-4-6-11(9)21-15(13)14/h3-6H,2,7-8H2,1H3
InChIKeyRNSSIGTXFXPBLL-UHFFFAOYSA-N
XLogP4.04
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene with MolForge

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Related Compounds

6-chloro-4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene
CID 86298634
2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)sulfanyl]ethanol
CID 139219121
2-[(4-phenyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaen-6-yl)amino]ethanol
CID 139218380
2-ethyl-4-phenyl-[1]benzofuro[2,3-d]pyrimidine
CID 142487813
4-chloro-6-methoxy-2,3-dihydrofuro[3,2-c]quinoline
CID 15749818
4-(2,6-dimethylmorpholin-4-ium-4-yl)-2-ethyl-[1]benzofuro[3,2-d]pyrimidine
CID 4872156
2-ethyl-4-morpholin-4-ium-4-yl-[1]benzofuro[3,2-d]pyrimidine
CID 4919819
2-ethyl-N-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 4671621
2-ethyl-4-propan-2-yl-[1]benzofuro[3,2-d]pyrimidine
CID 170017001
(2-ethyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)-dimethylazanium
CID 4976806
2-ethyl-N-(oxolan-2-ylmethyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 664426
ethyl 2-chloro-1-benzofuran-3-carboxylate
CID 151284906

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene?
The IUPAC name of 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene (CID 139218359) is 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene.
What is the SMILES notation for 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene?
The canonical SMILES for 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene is CCc1nc(Cl)c2c(n1)-c1oc3ccccc3c1OCC2.
What is the InChIKey of 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene?
The InChIKey is RNSSIGTXFXPBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN2O2/c1-2-12-18-13-10(16(17)19-12)7-8-20-14-9-5-3-4-6-11(9)21-15(13)14/h3-6H,2,7-8H2,1H3.
What are the key properties of 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene?
6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene has a molecular weight of 300.75 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-ethyl-10,18-dioxa-3,5-diazatetracyclo[9.7.0.02,7.012,17]octadeca-1(11),2(7),3,5,12,14,16-heptaene is sourced from PubChem (CID 139218359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).