15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one

C20H11NO2 — CID 11449359

IUPAC15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one
SMILESO=c1c2ccccc2oc2nc3ccc4ccccc4c3cc12
InChIInChI=1S/C20H11NO2/c22-19-14-7-3-4-8-18(14)23-20-16(19)11-15-13-6-2-1-5-12(13)9-10-17(15)21-20/h1-11H
InChIKeyKVVLCOZEMNNVBK-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.65
Rot. Bonds

About 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one

15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one (PubChem CID 11449359) has the molecular formula C20H11NO2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one.

Molecular Properties

Compound Name15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one
PubChem CID11449359
Molecular FormulaC20H11NO2
Molecular Weight297.31 g/mol
Exact Mass297.08
IUPAC Name15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one
SMILESO=c1c2ccccc2oc2nc3ccc4ccccc4c3cc12
InChIInChI=1S/C20H11NO2/c22-19-14-7-3-4-8-18(14)23-20-16(19)11-15-13-6-2-1-5-12(13)9-10-17(15)21-20/h1-11H
InChIKeyKVVLCOZEMNNVBK-UHFFFAOYSA-N
XLogP4.65
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one with MolForge

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Related Compounds

22-oxa-2-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,12,16,18,20-nonaen-15-one
CID 102409116
2-amino-N-benzyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 4914849
chromeno[2,3-b]pyridin-5-one
CID 659312
propane;xanthen-9-one
CID 90876458
2-(4-tert-butylphenyl)-5-oxochromeno[2,3-b]pyridine-3-carbonitrile
CID 7996574
methyl 2-(methoxymethyl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 1475272
3-nitro-2-(propylamino)chromeno[2,3-b]pyridin-5-one
CID 164670558
N-tert-butyl-2-methyl-5-oxochromeno[2,3-b]pyridine-3-carboxamide
CID 1475298
8,9-difluorobenzo[b]xanthen-12-one
CID 135167539
2-(1-fluorobutyl)chromeno[2,3-b]pyridin-5-one
CID 68753375
10-[(5-oxochromeno[2,3-b]pyridin-2-yl)methyl]-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid
CID 122400386
ethyl 2-(1-ethoxy-1-oxopropan-2-yl)-5-oxochromeno[2,3-b]pyridine-3-carboxylate
CID 161065299

Frequently Asked Questions

What is the IUPAC name of 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one?
The IUPAC name of 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one (CID 11449359) is 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one.
What is the SMILES notation for 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one?
The canonical SMILES for 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one is O=c1c2ccccc2oc2nc3ccc4ccccc4c3cc12.
What is the InChIKey of 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one?
The InChIKey is KVVLCOZEMNNVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11NO2/c22-19-14-7-3-4-8-18(14)23-20-16(19)11-15-13-6-2-1-5-12(13)9-10-17(15)21-20/h1-11H.
What are the key properties of 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one?
15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one has a molecular weight of 297.31 g/mol, XLogP of 4.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 15-oxa-13-azapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(14),2,4,6,8,10,12,16,18,20-decaen-22-one is sourced from PubChem (CID 11449359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).