N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide

C22H29N5O2 — CID 11795002

IUPACN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCN(C)C)c2cc3cc(O)ccc3nc12
InChIInChI=1S/C22H29N5O2/c1-26(2)11-9-23-20-8-6-17(22(29)24-10-12-27(3)4)21-18(20)14-15-13-16(28)5-7-19(15)25-21/h5-8,13-14,23,28H,9-12H2,1-4H3,(H,24,29)
InChIKeyBJPYQIXXOXMLON-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.36
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide (PubChem CID 11795002) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide
PubChem CID11795002
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccc(NCCN(C)C)c2cc3cc(O)ccc3nc12
InChIInChI=1S/C22H29N5O2/c1-26(2)11-9-23-20-8-6-17(22(29)24-10-12-27(3)4)21-18(20)14-15-13-16(28)5-7-19(15)25-21/h5-8,13-14,23,28H,9-12H2,1-4H3,(H,24,29)
InChIKeyBJPYQIXXOXMLON-UHFFFAOYSA-N
XLogP2.36
TPSA80.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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 N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide (CID 11795002) is N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide is CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2cc3cc(O)ccc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide?
The InChIKey is BJPYQIXXOXMLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-26(2)11-9-23-20-8-6-17(22(29)24-10-12-27(3)4)21-18(20)14-15-13-16(28)5-7-19(15)25-21/h5-8,13-14,23,28H,9-12H2,1-4H3,(H,24,29).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.36, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-[2-(dimethylamino)ethylamino]-7-hydroxyacridine-4-carboxamide is sourced from PubChem (CID 11795002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).