22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

C24H16N2O2 — CID 122519197

IUPAC22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCn1cccc1N1c2cccc3c2C2c4c(cccc4Oc4cccc1c42)O3
InChIInChI=1S/C24H16N2O2/c1-25-13-5-12-20(25)26-14-6-2-8-16-21(14)24-22-15(26)7-3-9-17(22)28-19-11-4-10-18(27-16)23(19)24/h2-13,24H,1H3
InChIKeyNDCQAPPJBCBORI-UHFFFAOYSA-N
MW364.40 g/mol
LogP6.20
Rot. Bonds1

About 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene

22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (PubChem CID 122519197) has the molecular formula C24H16N2O2 and a molecular weight of 364.40 g/mol. Its IUPAC name is 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.

Molecular Properties

Compound Name22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
PubChem CID122519197
Molecular FormulaC24H16N2O2
Molecular Weight364.40 g/mol
Exact Mass364.12
IUPAC Name22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene
SMILESCn1cccc1N1c2cccc3c2C2c4c(cccc4Oc4cccc1c42)O3
InChIInChI=1S/C24H16N2O2/c1-25-13-5-12-20(25)26-14-6-2-8-16-21(14)24-22-15(26)7-3-9-17(22)28-19-11-4-10-18(27-16)23(19)24/h2-13,24H,1H3
InChIKeyNDCQAPPJBCBORI-UHFFFAOYSA-N
XLogP6.20
TPSA26.63 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.40
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The IUPAC name of 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene (CID 122519197) is 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene.
What is the SMILES notation for 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The canonical SMILES for 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is Cn1cccc1N1c2cccc3c2C2c4c(cccc4Oc4cccc1c42)O3.
What is the InChIKey of 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
The InChIKey is NDCQAPPJBCBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N2O2/c1-25-13-5-12-20(25)26-14-6-2-8-16-21(14)24-22-15(26)7-3-9-17(22)28-19-11-4-10-18(27-16)23(19)24/h2-13,24H,1H3.
What are the key properties of 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene?
22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene has a molecular weight of 364.40 g/mol, XLogP of 6.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 22-(1-methylpyrrol-2-yl)-8,14-dioxa-22-azahexacyclo[11.7.1.13,19.02,7.09,21.015,20]docosa-2,4,6,9(21),10,12,15,17,19-nonaene is sourced from PubChem (CID 122519197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).