4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione

C20H17NO3 — CID 163912922

IUPAC4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione
SMILESCc1ccc2c(c1)C1CCC3C(=O)N(C)C(=O)c4ccc(c1c43)O2
InChIInChI=1S/C20H17NO3/c1-10-3-7-15-14(9-10)11-4-5-12-17-13(20(23)21(2)19(12)22)6-8-16(24-15)18(11)17/h3,6-9,11-12H,4-5H2,1-2H3
InChIKeyQTSRRDPGZOMSQH-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.72
Rot. Bonds

About 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione

4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione (PubChem CID 163912922) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione.

Molecular Properties

Compound Name4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione
PubChem CID163912922
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione
SMILESCc1ccc2c(c1)C1CCC3C(=O)N(C)C(=O)c4ccc(c1c43)O2
InChIInChI=1S/C20H17NO3/c1-10-3-7-15-14(9-10)11-4-5-12-17-13(20(23)21(2)19(12)22)6-8-16(24-15)18(11)17/h3,6-9,11-12H,4-5H2,1-2H3
InChIKeyQTSRRDPGZOMSQH-UHFFFAOYSA-N
XLogP3.72
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione with MolForge

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Related Compounds

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4,6-dimethyl-3,4-dihydro-1,3-benzoxazin-2-one
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CID 21420491
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CID 26435664
(4R)-4-ethyl-6-methyl-3,4-dihydrochromen-2-one
CID 134944434
10-(3,4-dimethylphenyl)-4,9-dimethyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
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Frequently Asked Questions

What is the IUPAC name of 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione?
The IUPAC name of 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione (CID 163912922) is 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione.
What is the SMILES notation for 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione?
The canonical SMILES for 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione is Cc1ccc2c(c1)C1CCC3C(=O)N(C)C(=O)c4ccc(c1c43)O2.
What is the InChIKey of 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione?
The InChIKey is QTSRRDPGZOMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c1-10-3-7-15-14(9-10)11-4-5-12-17-13(20(23)21(2)19(12)22)6-8-16(24-15)18(11)17/h3,6-9,11-12H,4-5H2,1-2H3.
What are the key properties of 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione?
4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione has a molecular weight of 319.36 g/mol, XLogP of 3.72, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,14-dimethyl-8-oxa-14-azapentacyclo[10.6.2.02,7.09,19.016,20]icosa-2(7),3,5,9(19),10,12(20)-hexaene-13,15-dione is sourced from PubChem (CID 163912922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).