(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol

C20H17N3O3 — CID 11163829

IUPAC(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol
SMILESCc1c(CO)nc2n1N=C(c1ccccc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C20H17N3O3/c1-12-16(10-24)21-19-8-14-7-17-18(26-11-25-17)9-15(14)20(22-23(12)19)13-5-3-2-4-6-13/h2-7,9,24H,8,10-11H2,1H3
InChIKeyUSQMHKFXMVOWDR-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.62
Rot. Bonds2

About (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol

(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol (PubChem CID 11163829) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol.

Molecular Properties

Compound Name(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol
PubChem CID11163829
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol
SMILESCc1c(CO)nc2n1N=C(c1ccccc1)c1cc3c(cc1C2)OCO3
InChIInChI=1S/C20H17N3O3/c1-12-16(10-24)21-19-8-14-7-17-18(26-11-25-17)9-15(14)20(22-23(12)19)13-5-3-2-4-6-13/h2-7,9,24H,8,10-11H2,1H3
InChIKeyUSQMHKFXMVOWDR-UHFFFAOYSA-N
XLogP2.62
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol?
The IUPAC name of (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol (CID 11163829) is (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol.
What is the SMILES notation for (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol?
The canonical SMILES for (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol is Cc1c(CO)nc2n1N=C(c1ccccc1)c1cc3c(cc1C2)OCO3.
What is the InChIKey of (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol?
The InChIKey is USQMHKFXMVOWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-12-16(10-24)21-19-8-14-7-17-18(26-11-25-17)9-15(14)20(22-23(12)19)13-5-3-2-4-6-13/h2-7,9,24H,8,10-11H2,1H3.
What are the key properties of (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol?
(6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol has a molecular weight of 347.37 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-9-phenyl-13,15-dioxa-4,7,8-triazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(17),3,5,8,10,12(16)-hexaen-5-yl)methanol is sourced from PubChem (CID 11163829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).