18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione

C19H11NO4 — CID 11666843

IUPAC18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
SMILESCc1cc(=O)oc2c1ccc1c2[nH]c2ccc3oc(=O)ccc3c21
InChIInChI=1S/C19H11NO4/c1-9-8-16(22)24-19-10(9)2-3-12-17-11-4-7-15(21)23-14(11)6-5-13(17)20-18(12)19/h2-8,20H,1H3
InChIKeyGWBZWKILHPVORG-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.84
Rot. Bonds

About 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione

18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione (PubChem CID 11666843) has the molecular formula C19H11NO4 and a molecular weight of 317.30 g/mol. Its IUPAC name is 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione.

Molecular Properties

Compound Name18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
PubChem CID11666843
Molecular FormulaC19H11NO4
Molecular Weight317.30 g/mol
Exact Mass317.07
IUPAC Name18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione
SMILESCc1cc(=O)oc2c1ccc1c2[nH]c2ccc3oc(=O)ccc3c21
InChIInChI=1S/C19H11NO4/c1-9-8-16(22)24-19-10(9)2-3-12-17-11-4-7-15(21)23-14(11)6-5-13(17)20-18(12)19/h2-8,20H,1H3
InChIKeyGWBZWKILHPVORG-UHFFFAOYSA-N
XLogP3.84
TPSA76.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione with MolForge

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Related Compounds

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CID 11708244
17,18-dichloro-7-methyl-4-oxa-12,14,21-triazapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3(8),6,9,13,15,17,19-nonaen-5-one
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Frequently Asked Questions

What is the IUPAC name of 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione?
The IUPAC name of 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione (CID 11666843) is 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione.
What is the SMILES notation for 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione?
The canonical SMILES for 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione is Cc1cc(=O)oc2c1ccc1c2[nH]c2ccc3oc(=O)ccc3c21.
What is the InChIKey of 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione?
The InChIKey is GWBZWKILHPVORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11NO4/c1-9-8-16(22)24-19-10(9)2-3-12-17-11-4-7-15(21)23-14(11)6-5-13(17)20-18(12)19/h2-8,20H,1H3.
What are the key properties of 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione?
18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione has a molecular weight of 317.30 g/mol, XLogP of 3.84, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 18-methyl-7,15-dioxa-12-azapentacyclo[11.8.0.02,11.03,8.014,19]henicosa-1(13),2(11),3(8),4,9,14(19),17,20-octaene-6,16-dione is sourced from PubChem (CID 11666843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).