N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide

C22H14N4O3 — CID 11501819

IUPACN-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3nccc4c3[nH]c3ccccc34)nc2C1=O
InChIInChI=1S/C22H14N4O3/c1-11(27)24-17-10-18(28)14-6-7-16(26-20(14)22(17)29)21-19-13(8-9-23-21)12-4-2-3-5-15(12)25-19/h2-10,25H,1H3,(H,24,27)
InChIKeyXWABATQAPMOIRG-UHFFFAOYSA-N
MW382.38 g/mol
LogP3.18
Rot. Bonds2

About N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide

N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide (PubChem CID 11501819) has the molecular formula C22H14N4O3 and a molecular weight of 382.38 g/mol. Its IUPAC name is N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide.

Molecular Properties

Compound NameN-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide
PubChem CID11501819
Molecular FormulaC22H14N4O3
Molecular Weight382.38 g/mol
Exact Mass382.11
IUPAC NameN-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide
SMILESCC(=O)NC1=CC(=O)c2ccc(-c3nccc4c3[nH]c3ccccc34)nc2C1=O
InChIInChI=1S/C22H14N4O3/c1-11(27)24-17-10-18(28)14-6-7-16(26-20(14)22(17)29)21-19-13(8-9-23-21)12-4-2-3-5-15(12)25-19/h2-10,25H,1H3,(H,24,27)
InChIKeyXWABATQAPMOIRG-UHFFFAOYSA-N
XLogP3.18
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 53.18
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 N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide?
The IUPAC name of N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide (CID 11501819) is N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide.
What is the SMILES notation for N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide?
The canonical SMILES for N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide is CC(=O)NC1=CC(=O)c2ccc(-c3nccc4c3[nH]c3ccccc34)nc2C1=O.
What is the InChIKey of N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide?
The InChIKey is XWABATQAPMOIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4O3/c1-11(27)24-17-10-18(28)14-6-7-16(26-20(14)22(17)29)21-19-13(8-9-23-21)12-4-2-3-5-15(12)25-19/h2-10,25H,1H3,(H,24,27).
What are the key properties of N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide?
N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide has a molecular weight of 382.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,8-dioxo-2-(9H-pyrido[3,4-b]indol-1-yl)quinolin-7-yl]acetamide is sourced from PubChem (CID 11501819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).