N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide

C24H23N3O — CID 10690459

IUPACN-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccc(-c4ccccc4)c3nc12
InChIInChI=1S/C24H23N3O/c1-27(2)15-14-25-24(28)21-13-7-11-19-16-18-10-6-12-20(22(18)26-23(19)21)17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,25,28)
InChIKeyKSGHFZKKWVRRLX-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.35
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide (PubChem CID 10690459) has the molecular formula C24H23N3O and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
PubChem CID10690459
Molecular FormulaC24H23N3O
Molecular Weight369.47 g/mol
Exact Mass369.18
IUPAC NameN-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1cccc2cc3cccc(-c4ccccc4)c3nc12
InChIInChI=1S/C24H23N3O/c1-27(2)15-14-25-24(28)21-13-7-11-19-16-18-10-6-12-20(22(18)26-23(19)21)17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,25,28)
InChIKeyKSGHFZKKWVRRLX-UHFFFAOYSA-N
XLogP4.35
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.35
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

2-[2-(dimethylamino)ethylcarbamoyl]-6-phenylbenzoic acid
CID 123504584
N-[2-(dimethylamino)ethyl]-6,7-dimethylacridine-4-carboxamide
CID 54432311
N-[2-(dimethylamino)ethyl]-7-(trifluoromethyl)acridine-4-carboxamide
CID 11792926
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
N-[2-(dimethylamino)ethyl]-3-phenylpyridine-4-carboxamide
CID 91804668
N-[3-[2-(dimethylamino)ethylcarbamoyl]phenyl]-2-phenylbenzamide
CID 70144629
N-[2-(dimethylamino)ethyl]-2-phenylbenzo[h]quinoline-4-carboxamide
CID 155517784
N-(4-hydroxybutyl)acridine-4-carboxamide
CID 11033729
9-chloro-N-[2-(dimethylamino)ethyl]-5-methylacridine-4-carboxamide
CID 10593362
6-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]phenanthridine-4-carboxamide;hydrochloride
CID 45262948
2-[2-[2-(dimethylamino)ethylcarbamoyl]phenyl]acetic acid
CID 114199769

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide (CID 10690459) is N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide is CN(C)CCNC(=O)c1cccc2cc3cccc(-c4ccccc4)c3nc12.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide?
The InChIKey is KSGHFZKKWVRRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O/c1-27(2)15-14-25-24(28)21-13-7-11-19-16-18-10-6-12-20(22(18)26-23(19)21)17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-phenylacridine-4-carboxamide is sourced from PubChem (CID 10690459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).