7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide

C21H13N3O3 — CID 139905975

IUPAC7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
SMILESNC(=O)c1cccc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c12
InChIInChI=1S/C21H13N3O3/c22-21(27)11-5-3-7-15-18(11)20(26)13-9-16-12(8-17(13)24-15)19(25)10-4-1-2-6-14(10)23-16/h1-9H,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyOXLPJCMIBNMVOV-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.77
Rot. Bonds1

About 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide

7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide (PubChem CID 139905975) has the molecular formula C21H13N3O3 and a molecular weight of 355.35 g/mol. Its IUPAC name is 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide.

Molecular Properties

Compound Name7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
PubChem CID139905975
Molecular FormulaC21H13N3O3
Molecular Weight355.35 g/mol
Exact Mass355.10
IUPAC Name7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide
SMILESNC(=O)c1cccc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c12
InChIInChI=1S/C21H13N3O3/c22-21(27)11-5-3-7-15-18(11)20(26)13-9-16-12(8-17(13)24-15)19(25)10-4-1-2-6-14(10)23-16/h1-9H,(H2,22,27)(H,23,25)(H,24,26)
InChIKeyOXLPJCMIBNMVOV-UHFFFAOYSA-N
XLogP2.77
TPSA108.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide?
The IUPAC name of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide (CID 139905975) is 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide.
What is the SMILES notation for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide?
The canonical SMILES for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide is NC(=O)c1cccc2[nH]c3cc4c(=O)c5ccccc5[nH]c4cc3c(=O)c12.
What is the InChIKey of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide?
The InChIKey is OXLPJCMIBNMVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O3/c22-21(27)11-5-3-7-15-18(11)20(26)13-9-16-12(8-17(13)24-15)19(25)10-4-1-2-6-14(10)23-16/h1-9H,(H2,22,27)(H,23,25)(H,24,26).
What are the key properties of 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide?
7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,14-dioxo-5,12-dihydroquinolino[2,3-b]acridine-1-carboxamide is sourced from PubChem (CID 139905975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).