(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate

C26H17NO5 — CID 152653401

IUPAC(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate
SMILESCc1c(OC(=O)Nc2cccc(O)c2)ccc2cc3c(cc12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C26H17NO5/c1-14-20-13-22-21(24(29)18-7-2-3-8-19(18)25(22)30)11-15(20)9-10-23(14)32-26(31)27-16-5-4-6-17(28)12-16/h2-13,28H,1H3,(H,27,31)
InChIKeyZIAGRXGRKZVVOS-UHFFFAOYSA-N
MW423.42 g/mol
LogP5.24
Rot. Bonds2

About (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate

(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate (PubChem CID 152653401) has the molecular formula C26H17NO5 and a molecular weight of 423.42 g/mol. Its IUPAC name is (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Name(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate
PubChem CID152653401
Molecular FormulaC26H17NO5
Molecular Weight423.42 g/mol
Exact Mass423.11
IUPAC Name(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate
SMILESCc1c(OC(=O)Nc2cccc(O)c2)ccc2cc3c(cc12)C(=O)c1ccccc1C3=O
InChIInChI=1S/C26H17NO5/c1-14-20-13-22-21(24(29)18-7-2-3-8-19(18)25(22)30)11-15(20)9-10-23(14)32-26(31)27-16-5-4-6-17(28)12-16/h2-13,28H,1H3,(H,27,31)
InChIKeyZIAGRXGRKZVVOS-UHFFFAOYSA-N
XLogP5.24
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate?
The IUPAC name of (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate (CID 152653401) is (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate is Cc1c(OC(=O)Nc2cccc(O)c2)ccc2cc3c(cc12)C(=O)c1ccccc1C3=O.
What is the InChIKey of (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate?
The InChIKey is ZIAGRXGRKZVVOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17NO5/c1-14-20-13-22-21(24(29)18-7-2-3-8-19(18)25(22)30)11-15(20)9-10-23(14)32-26(31)27-16-5-4-6-17(28)12-16/h2-13,28H,1H3,(H,27,31).
What are the key properties of (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate?
(1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate has a molecular weight of 423.42 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-6,11-dioxotetracen-2-yl) N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 152653401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).