(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

C18H11NO3 — CID 135423664

IUPAC(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESC/C(O)=c1/c(=O)nc2cccc3c2=c1c1ccccc1c3=O
InChIInChI=1S/C18H11NO3/c1-9(20)14-16-10-5-2-3-6-11(10)17(21)12-7-4-8-13(15(12)16)19-18(14)22/h2-8,20H,1H3/b14-9-
InChIKeyZZMAHQZJJAGKMN-ZROIWOOFSA-N
MW289.29 g/mol
LogP1.68
Rot. Bonds

About (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (PubChem CID 135423664) has the molecular formula C18H11NO3 and a molecular weight of 289.29 g/mol. Its IUPAC name is (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.

Molecular Properties

Compound Name(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
PubChem CID135423664
Molecular FormulaC18H11NO3
Molecular Weight289.29 g/mol
Exact Mass289.07
IUPAC Name(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
SMILESC/C(O)=c1/c(=O)nc2cccc3c2=c1c1ccccc1c3=O
InChIInChI=1S/C18H11NO3/c1-9(20)14-16-10-5-2-3-6-11(10)17(21)12-7-4-8-13(15(12)16)19-18(14)22/h2-8,20H,1H3/b14-9-
InChIKeyZZMAHQZJJAGKMN-ZROIWOOFSA-N
XLogP1.68
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The IUPAC name of (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (CID 135423664) is (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione.
What is the SMILES notation for (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The canonical SMILES for (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is C/C(O)=c1/c(=O)nc2cccc3c2=c1c1ccccc1c3=O.
What is the InChIKey of (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
The InChIKey is ZZMAHQZJJAGKMN-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H11NO3/c1-9(20)14-16-10-5-2-3-6-11(10)17(21)12-7-4-8-13(15(12)16)19-18(14)22/h2-8,20H,1H3/b14-9-.
What are the key properties of (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione?
(16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione has a molecular weight of 289.29 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (16Z)-16-(1-hydroxyethylidene)-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione is sourced from PubChem (CID 135423664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).