16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide

C16H20N4O4 — CID 175705505

IUPAC16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
SMILESNC(=O)c1cn2c(c(O)c1=O)C(=O)N1C(C2)NCC2CCCCC21
InChIInChI=1S/C16H20N4O4/c17-15(23)9-6-19-7-11-18-5-8-3-1-2-4-10(8)20(11)16(24)12(19)14(22)13(9)21/h6,8,10-11,18,22H,1-5,7H2,(H2,17,23)
InChIKeyHHXGCGZQYUKSRB-UHFFFAOYSA-N
MW332.36 g/mol
LogP-0.40
Rot. Bonds1

About 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide

16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide (PubChem CID 175705505) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide.

Molecular Properties

Compound Name16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
PubChem CID175705505
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Name16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide
SMILESNC(=O)c1cn2c(c(O)c1=O)C(=O)N1C(C2)NCC2CCCCC21
InChIInChI=1S/C16H20N4O4/c17-15(23)9-6-19-7-11-18-5-8-3-1-2-4-10(8)20(11)16(24)12(19)14(22)13(9)21/h6,8,10-11,18,22H,1-5,7H2,(H2,17,23)
InChIKeyHHXGCGZQYUKSRB-UHFFFAOYSA-N
XLogP-0.40
TPSA117.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The IUPAC name of 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide (CID 175705505) is 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide.
What is the SMILES notation for 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The canonical SMILES for 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide is NC(=O)c1cn2c(c(O)c1=O)C(=O)N1C(C2)NCC2CCCCC21.
What is the InChIKey of 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
The InChIKey is HHXGCGZQYUKSRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c17-15(23)9-6-19-7-11-18-5-8-3-1-2-4-10(8)20(11)16(24)12(19)14(22)13(9)21/h6,8,10-11,18,22H,1-5,7H2,(H2,17,23).
What are the key properties of 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide?
16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide has a molecular weight of 332.36 g/mol, XLogP of -0.40, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 16-hydroxy-15,18-dioxo-1,9,12-triazatetracyclo[8.8.0.02,7.012,17]octadeca-13,16-diene-14-carboxamide is sourced from PubChem (CID 175705505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).