8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione

C20H11NO4 — CID 11724094

IUPAC8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione
SMILESCc1cc(=O)oc2c1ccc1oc3cc(=O)c4ccccc4c-3nc12
InChIInChI=1S/C20H11NO4/c1-10-8-17(23)25-20-11(10)6-7-15-19(20)21-18-13-5-3-2-4-12(13)14(22)9-16(18)24-15/h2-9H,1H3
InChIKeyKVGHKLVFVBXTAG-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.86
Rot. Bonds

About 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione

8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione (PubChem CID 11724094) has the molecular formula C20H11NO4 and a molecular weight of 329.31 g/mol. Its IUPAC name is 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione.

Molecular Properties

Compound Name8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione
PubChem CID11724094
Molecular FormulaC20H11NO4
Molecular Weight329.31 g/mol
Exact Mass329.07
IUPAC Name8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione
SMILESCc1cc(=O)oc2c1ccc1oc3cc(=O)c4ccccc4c-3nc12
InChIInChI=1S/C20H11NO4/c1-10-8-17(23)25-20-11(10)6-7-15-19(20)21-18-13-5-3-2-4-12(13)14(22)9-16(18)24-15/h2-9H,1H3
InChIKeyKVGHKLVFVBXTAG-UHFFFAOYSA-N
XLogP3.86
TPSA73.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)-6-methylpyrano[2,3-e][1,3]benzoxazol-8-one
CID 86105930
16-(4-chlorophenyl)imino-5-methyl-8,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),5,10,14,17,19,21-nonaen-7-one
CID 10365888
4-methylpyrano[2,3-a]xanthene-2,12-dione
CID 13270680
4,10-dimethylpyrano[2,3-f]chromene-2,8-dione
CID 1234115
4-methylpyrano[2,3-f]chromene-2,8-dione
CID 13165001
4-methyl-8-propan-2-ylchromen-2-one
CID 71446036
8-iodo-4-methylchromen-2-one
CID 130067017
4-methyl-2,10-dioxopyrano[2,3-f]chromene-8-carboxylate
CID 6975739
4-methyl-8-phenoxychromen-2-one
CID 86228952
9-amino-4,8-dimethylfuro[2,3-h]chromen-2-one
CID 131858865
4-methyl-9-(naphthalen-1-ylamino)furo[2,3-h]chromen-2-one
CID 631083
dimethyltin;4-methylchromen-2-one
CID 175284443

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione?
The IUPAC name of 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione (CID 11724094) is 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione.
What is the SMILES notation for 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione?
The canonical SMILES for 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione is Cc1cc(=O)oc2c1ccc1oc3cc(=O)c4ccccc4c-3nc12.
What is the InChIKey of 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione?
The InChIKey is KVGHKLVFVBXTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO4/c1-10-8-17(23)25-20-11(10)6-7-15-19(20)21-18-13-5-3-2-4-12(13)14(22)9-16(18)24-15/h2-9H,1H3.
What are the key properties of 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione?
8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione has a molecular weight of 329.31 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,13-dioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4(9),7,10,14,17,19,21-nonaene-6,16-dione is sourced from PubChem (CID 11724094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).