9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide

C18H19FN4O — CID 1818

IUPAC9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12
InChIInChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyQEHXKZSBSOBCGM-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.40
Rot. Bonds4

About 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide

9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide (PubChem CID 1818) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide.

Molecular Properties

Compound Name9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
PubChem CID1818
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC Name9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12
InChIInChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24)
InChIKeyQEHXKZSBSOBCGM-UHFFFAOYSA-N
XLogP2.40
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
3-amino-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 172646860
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
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6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
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9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
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9-[3-[[4-[bis(2-chloroethyl)amino]phenyl]carbamoylamino]-5-methylanilino]-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 90842585
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N-[2-(dimethylamino)ethyl]-2-nitrobenzo[a]phenazine-11-carboxamide
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CID 10114847

Frequently Asked Questions

What is the IUPAC name of 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide?
The IUPAC name of 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide (CID 1818) is 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide.
What is the SMILES notation for 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide?
The canonical SMILES for 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2c(N)c3cccc(F)c3nc12.
What is the InChIKey of 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide?
The InChIKey is QEHXKZSBSOBCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-23(2)10-9-21-18(24)13-7-3-5-11-15(20)12-6-4-8-14(19)17(12)22-16(11)13/h3-8H,9-10H2,1-2H3,(H2,20,22)(H,21,24).
What are the key properties of 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide?
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide is sourced from PubChem (CID 1818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).