(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one

C20H18N2O4 — CID 144988597

IUPAC(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
SMILESCOc1cc(OC)c2c(c1)OC1C2c2[nH][nH]c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-24-11-8-12(25-2)15-13(9-11)26-19-14(10-6-4-3-5-7-10)17-18(16(15)19)21-22-20(17)23/h3-9,14,16,19H,1-2H3,(H2,21,22,23)/t14-,16?,19?/m1/s1
InChIKeyBVCITQDHINCUMK-ICXUMSERSA-N
MW350.37 g/mol
LogP2.76
Rot. Bonds3

About (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one

(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one (PubChem CID 144988597) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one.

Molecular Properties

Compound Name(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
PubChem CID144988597
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one
SMILESCOc1cc(OC)c2c(c1)OC1C2c2[nH][nH]c(=O)c2[C@H]1c1ccccc1
InChIInChI=1S/C20H18N2O4/c1-24-11-8-12(25-2)15-13(9-11)26-19-14(10-6-4-3-5-7-10)17-18(16(15)19)21-22-20(17)23/h3-9,14,16,19H,1-2H3,(H2,21,22,23)/t14-,16?,19?/m1/s1
InChIKeyBVCITQDHINCUMK-ICXUMSERSA-N
XLogP2.76
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The IUPAC name of (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one (CID 144988597) is (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one.
What is the SMILES notation for (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The canonical SMILES for (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one is COc1cc(OC)c2c(c1)OC1C2c2[nH][nH]c(=O)c2[C@H]1c1ccccc1.
What is the InChIKey of (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
The InChIKey is BVCITQDHINCUMK-ICXUMSERSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-11-8-12(25-2)15-13(9-11)26-19-14(10-6-4-3-5-7-10)17-18(16(15)19)21-22-20(17)23/h3-9,14,16,19H,1-2H3,(H2,21,22,23)/t14-,16?,19?/m1/s1.
What are the key properties of (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one?
(10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one has a molecular weight of 350.37 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-3,5-dimethoxy-10-phenyl-8-oxa-13,14-diazatetracyclo[7.6.0.02,7.011,15]pentadeca-2(7),3,5,11(15)-tetraen-12-one is sourced from PubChem (CID 144988597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).