17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine

C20H15N5O2 — CID 2314975

IUPAC17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine
SMILES[H]/N=c1\oc(C)nc2c1c1nc3ccccc3nc1n2-c1ccc(OC)cc1
InChIInChI=1S/C20H15N5O2/c1-11-22-19-16(18(21)27-11)17-20(24-15-6-4-3-5-14(15)23-17)25(19)12-7-9-13(26-2)10-8-12/h3-10,21H,1-2H3/b21-18-
InChIKeyKTCLNXMGRDGQLU-UZYVYHOESA-N
MW357.37 g/mol
LogP3.51
Rot. Bonds2

About 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine

17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine (PubChem CID 2314975) has the molecular formula C20H15N5O2 and a molecular weight of 357.37 g/mol. Its IUPAC name is 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine.

Molecular Properties

Compound Name17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine
PubChem CID2314975
Molecular FormulaC20H15N5O2
Molecular Weight357.37 g/mol
Exact Mass357.12
IUPAC Name17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine
SMILES[H]/N=c1\oc(C)nc2c1c1nc3ccccc3nc1n2-c1ccc(OC)cc1
InChIInChI=1S/C20H15N5O2/c1-11-22-19-16(18(21)27-11)17-20(24-15-6-4-3-5-14(15)23-17)25(19)12-7-9-13(26-2)10-8-12/h3-10,21H,1-2H3/b21-18-
InChIKeyKTCLNXMGRDGQLU-UZYVYHOESA-N
XLogP3.51
TPSA89.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine?
The IUPAC name of 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine (CID 2314975) is 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine.
What is the SMILES notation for 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine?
The canonical SMILES for 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine is [H]/N=c1\oc(C)nc2c1c1nc3ccccc3nc1n2-c1ccc(OC)cc1.
What is the InChIKey of 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine?
The InChIKey is KTCLNXMGRDGQLU-UZYVYHOESA-N. The full InChI is InChI=1S/C20H15N5O2/c1-11-22-19-16(18(21)27-11)17-20(24-15-6-4-3-5-14(15)23-17)25(19)12-7-9-13(26-2)10-8-12/h3-10,21H,1-2H3/b21-18-.
What are the key properties of 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine?
17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine has a molecular weight of 357.37 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 17-(4-methoxyphenyl)-14-methyl-13-oxa-2,9,15,17-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-imine is sourced from PubChem (CID 2314975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).