6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one

C17H18ClN5O2 — CID 163698293

IUPAC6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one
SMILESCc1cc(Cl)c2cc1Nc1ncc3c(n1)n(c(=O)n3C)CCCCO2
InChIInChI=1S/C17H18ClN5O2/c1-10-7-11(18)14-8-12(10)20-16-19-9-13-15(21-16)23(17(24)22(13)2)5-3-4-6-25-14/h7-9H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyJYTVLFMBNAXWHD-UHFFFAOYSA-N
MW359.82 g/mol
LogP3.01
Rot. Bonds

About 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one

6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one (PubChem CID 163698293) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one.

Molecular Properties

Compound Name6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one
PubChem CID163698293
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one
SMILESCc1cc(Cl)c2cc1Nc1ncc3c(n1)n(c(=O)n3C)CCCCO2
InChIInChI=1S/C17H18ClN5O2/c1-10-7-11(18)14-8-12(10)20-16-19-9-13-15(21-16)23(17(24)22(13)2)5-3-4-6-25-14/h7-9H,3-6H2,1-2H3,(H,19,20,21)
InChIKeyJYTVLFMBNAXWHD-UHFFFAOYSA-N
XLogP3.01
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one with MolForge

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Related Compounds

6-chloro-4-methyl-17-(methylamino)-8-oxa-2,11,15,16,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(19),3(21),4,6,13(20),14,17-heptaen-12-one
CID 167087227
2-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)amino]-7-methyl-9-(oxolan-2-ylmethyl)purin-8-one
CID 156572717
16-ethynyl-15-methyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,13,19,20-tetrazatetracyclo[11.6.2.13,7.017,21]docosa-1(19),3(22),4,6,15,17,20-heptaen-14-one
CID 171546692
17-ethynyl-6-(4-methylpiperazin-1-yl)-8-oxa-2,14,20,21-tetrazatetracyclo[12.6.2.13,7.018,22]tricosa-1(20),3(23),4,6,16,18,21-heptaen-15-one
CID 171546906
2-chloro-7-methyl-9-(pyrrolidine-1-carbonyl)purin-8-one
CID 88581581
2-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)amino]-7-methyl-9H-purin-8-one
CID 156572682
2-[(6-chloro-2,3-dihydro-1-benzofuran-5-yl)amino]-7-methyl-9-(8-oxabicyclo[3.2.1]octa-1,3,5-trien-3-yl)purin-8-one
CID 163936028
6-chloro-12-[(1-methylimidazol-2-yl)methyl]-2,18-dioxa-9,12-diazatricyclo[17.4.0.03,8]tricosa-1(23),3(8),4,6,19,21-hexaen-10-one
CID 133073541
2-(2-chloro-7-methyl-8-oxopurin-9-yl)oxane-4-carbonitrile
CID 175688499
6-chloro-12-[(2-piperidin-1-ylpyrimidin-4-yl)methyl]-2,18-dioxa-9,12-diazatricyclo[17.4.0.03,8]tricosa-1(23),3(8),4,6,19,21-hexaen-10-one
CID 133073599
2-chloro-7-methyl-9-(1-methyl-4-oxocyclohexyl)purin-8-one
CID 146275494
2-chloro-7-methyl-9-[(3-methyl-2-oxoazetidin-3-yl)methyl]purin-8-one
CID 175142908

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one?
The IUPAC name of 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one (CID 163698293) is 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one.
What is the SMILES notation for 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one?
The canonical SMILES for 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one is Cc1cc(Cl)c2cc1Nc1ncc3c(n1)n(c(=O)n3C)CCCCO2.
What is the InChIKey of 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one?
The InChIKey is JYTVLFMBNAXWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c1-10-7-11(18)14-8-12(10)20-16-19-9-13-15(21-16)23(17(24)22(13)2)5-3-4-6-25-14/h7-9H,3-6H2,1-2H3,(H,19,20,21).
What are the key properties of 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one?
6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one has a molecular weight of 359.82 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4,15-dimethyl-8-oxa-2,13,15,18,19-pentazatetracyclo[11.5.2.13,7.016,20]henicosa-1(18),3(21),4,6,16,19-hexaen-14-one is sourced from PubChem (CID 163698293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).