4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone

C23H24N4O4 — CID 1427689

IUPAC4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCCN(CC)CCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O
InChIInChI=1S/C23H24N4O4/c1-3-26(4-2)10-7-11-27-22(30)16-17(23(27)31)19(25)15-14(18(16)24)20(28)12-8-5-6-9-13(12)21(15)29/h5-6,8-9H,3-4,7,10-11,24-25H2,1-2H3
InChIKeyWKFZWTKGZDTJIA-UHFFFAOYSA-N
MW420.47 g/mol
LogP1.16
Rot. Bonds6

About 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone

4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone (PubChem CID 1427689) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone.

Molecular Properties

Compound Name4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
PubChem CID1427689
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone
SMILESCCN(CC)CCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O
InChIInChI=1S/C23H24N4O4/c1-3-26(4-2)10-7-11-27-22(30)16-17(23(27)31)19(25)15-14(18(16)24)20(28)12-8-5-6-9-13(12)21(15)29/h5-6,8-9H,3-4,7,10-11,24-25H2,1-2H3
InChIKeyWKFZWTKGZDTJIA-UHFFFAOYSA-N
XLogP1.16
TPSA128.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The IUPAC name of 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone (CID 1427689) is 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone.
What is the SMILES notation for 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The canonical SMILES for 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone is CCN(CC)CCCn1c(=O)c2c(N)c3c(=O)c4ccccc4c(=O)c3c(N)c2c1=O.
What is the InChIKey of 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone?
The InChIKey is WKFZWTKGZDTJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-3-26(4-2)10-7-11-27-22(30)16-17(23(27)31)19(25)15-14(18(16)24)20(28)12-8-5-6-9-13(12)21(15)29/h5-6,8-9H,3-4,7,10-11,24-25H2,1-2H3.
What are the key properties of 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone?
4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone has a molecular weight of 420.47 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diamino-2-[3-(diethylamino)propyl]naphtho[2,3-f]isoindole-1,3,5,10-tetrone is sourced from PubChem (CID 1427689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).