N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide

C19H18F3N3O — CID 11792926

IUPACN-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cc(C(F)(F)F)ccc3nc12
InChIInChI=1S/C19H18F3N3O/c1-25(2)9-8-23-18(26)15-5-3-4-12-10-13-11-14(19(20,21)22)6-7-16(13)24-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,23,26)
InChIKeyMNPWKPCYPVCEGS-UHFFFAOYSA-N
MW361.37 g/mol
LogP3.70
Rot. Bonds4

About N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide (PubChem CID 11792926) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
PubChem CID11792926
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cc(C(F)(F)F)ccc3nc12
InChIInChI=1S/C19H18F3N3O/c1-25(2)9-8-23-18(26)15-5-3-4-12-10-13-11-14(19(20,21)22)6-7-16(13)24-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,23,26)
InChIKeyMNPWKPCYPVCEGS-UHFFFAOYSA-N
XLogP3.70
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
CID 10690459
N-[2-(dimethylamino)ethyl]-2-iodo-5-(trifluoromethyl)benzamide
CID 172648729
2-N-[2-(dimethylamino)ethyl]-6-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109096385
N-[2-(dimethylamino)ethyl]-[1]benzofuro[2,3-b]quinoline-7-carboxamide
CID 10640396
N-[2-(dimethylamino)ethyl]-6,9-dimethyl-[1]benzothiolo[3,2-b]quinoline-4-carboxamide
CID 101079695
1-N-[2-(dimethylamino)ethyl]-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109053234
9-anilino-N-[2-(dimethylamino)ethyl]acridine-4-carboxamide
CID 59765054
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
3-chloro-N-[2-(dimethylamino)ethyl]phenazine-1-carboxamide
CID 11580719
2-(acridine-4-carbonylamino)ethyl-hydroxy-dimethylazanium;dihydrochloride
CID 21143217
6-tert-butyl-N-[2-(dimethylamino)ethyl]thieno[2,3-b]quinoline-2-carboxamide;6-tert-butylthieno[2,3-b]quinoline-2-carboxylic acid
CID 158508913

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide (CID 11792926) is N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3cc(C(F)(F)F)ccc3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide?
The InChIKey is MNPWKPCYPVCEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-25(2)9-8-23-18(26)15-5-3-4-12-10-13-11-14(19(20,21)22)6-7-16(13)24-17(12)15/h3-7,10-11H,8-9H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide has a molecular weight of 361.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide is sourced from PubChem (CID 11792926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).