(16Z)-16-(1-hydroxyethylidene)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione

C19H13NO3 — CID 135477211

IUPAC(16Z)-16-(1-hydroxyethylidene)-12-methyl-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)nc2c(C)ccc3c2=c1c1ccccc1c3=O
InChIInChI=1S/C19H13NO3/c1-9-7-8-13-16-15(11-5-3-4-6-12(11)18(13)22)14(10(2)21)19(23)20-17(9)16/h3-8,21H,1-2H3/b14-10-
InChIKeyKEZFYISBLGCPAE-UVTDQMKNSA-N
MW303.32 g/mol
LogP1.98
Rot. Bonds

About (16Z)-16-(1-hydroxyethylidene)-12-methyl-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)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (PubChem CID 135477211) has the molecular formula C19H13NO3 and a molecular weight of 303.32 g/mol. Its IUPAC name is (16Z)-16-(1-hydroxyethylidene)-12-methyl-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)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione
PubChem CID135477211
Molecular FormulaC19H13NO3
Molecular Weight303.32 g/mol
Exact Mass303.09
IUPAC Name(16Z)-16-(1-hydroxyethylidene)-12-methyl-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)nc2c(C)ccc3c2=c1c1ccccc1c3=O
InChIInChI=1S/C19H13NO3/c1-9-7-8-13-16-15(11-5-3-4-6-12(11)18(13)22)14(10(2)21)19(23)20-17(9)16/h3-8,21H,1-2H3/b14-10-
InChIKeyKEZFYISBLGCPAE-UVTDQMKNSA-N
XLogP1.98
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (16Z)-16-(1-hydroxyethylidene)-12-methyl-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)-12-methyl-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)-12-methyl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13-heptaene-8,15-dione (CID 135477211) is (16Z)-16-(1-hydroxyethylidene)-12-methyl-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)-12-methyl-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)-12-methyl-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)nc2c(C)ccc3c2=c1c1ccccc1c3=O.
What is the InChIKey of (16Z)-16-(1-hydroxyethylidene)-12-methyl-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 KEZFYISBLGCPAE-UVTDQMKNSA-N. The full InChI is InChI=1S/C19H13NO3/c1-9-7-8-13-16-15(11-5-3-4-6-12(11)18(13)22)14(10(2)21)19(23)20-17(9)16/h3-8,21H,1-2H3/b14-10-.
What are the key properties of (16Z)-16-(1-hydroxyethylidene)-12-methyl-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)-12-methyl-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 303.32 g/mol, XLogP of 1.98, 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)-12-methyl-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 135477211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).