7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one

C22H17N3O3 — CID 14699106

IUPAC7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one
SMILESCOc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4c(c3c2c1)CNC4=O
InChIInChI=1S/C22H17N3O3/c1-27-10-3-5-15-12(7-10)17-14-9-23-22(26)19(14)18-13-8-11(28-2)4-6-16(13)25-21(18)20(17)24-15/h3-8,24-25H,9H2,1-2H3,(H,23,26)
InChIKeyKMSMXKJVYSKIMF-UHFFFAOYSA-N
MW371.40 g/mol
LogP4.22
Rot. Bonds2

About 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one

7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one (PubChem CID 14699106) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one.

Molecular Properties

Compound Name7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one
PubChem CID14699106
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one
SMILESCOc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4c(c3c2c1)CNC4=O
InChIInChI=1S/C22H17N3O3/c1-27-10-3-5-15-12(7-10)17-14-9-23-22(26)19(14)18-13-8-11(28-2)4-6-16(13)25-21(18)20(17)24-15/h3-8,24-25H,9H2,1-2H3,(H,23,26)
InChIKeyKMSMXKJVYSKIMF-UHFFFAOYSA-N
XLogP4.22
TPSA79.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 54.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one?
The IUPAC name of 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one (CID 14699106) is 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one.
What is the SMILES notation for 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one?
The canonical SMILES for 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one is COc1ccc2[nH]c3c4[nH]c5ccc(OC)cc5c4c4c(c3c2c1)CNC4=O.
What is the InChIKey of 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one?
The InChIKey is KMSMXKJVYSKIMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O3/c1-27-10-3-5-15-12(7-10)17-14-9-23-22(26)19(14)18-13-8-11(28-2)4-6-16(13)25-21(18)20(17)24-15/h3-8,24-25H,9H2,1-2H3,(H,23,26).
What are the key properties of 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one?
7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one has a molecular weight of 371.40 g/mol, XLogP of 4.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,19-dimethoxy-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaen-12-one is sourced from PubChem (CID 14699106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).