4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine

C21H17N3O2 — CID 71375707

IUPAC4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine
SMILESCc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O2/c1-13-10-11-15(12-19(13)24(25)26)22-21-16-7-3-4-9-18(16)23-20-14(2)6-5-8-17(20)21/h3-12H,1-2H3,(H,22,23)
InChIKeyAYIJCPMEUZRDSK-UHFFFAOYSA-N
MW343.39 g/mol
LogP5.66
Rot. Bonds3

About 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine

4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine (PubChem CID 71375707) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine
PubChem CID71375707
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine
SMILESCc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1[N+](=O)[O-]
InChIInChI=1S/C21H17N3O2/c1-13-10-11-15(12-19(13)24(25)26)22-21-16-7-3-4-9-18(16)23-20-14(2)6-5-8-17(20)21/h3-12H,1-2H3,(H,22,23)
InChIKeyAYIJCPMEUZRDSK-UHFFFAOYSA-N
XLogP5.66
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.39
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[(4-methylacridin-9-yl)amino]phenoxy]propanoic acid;hydrochloride
CID 90673846
N-[3-methoxy-4-[(4-nitroacridin-9-yl)amino]phenyl]methanesulfonamide
CID 5488121
N-(4-methyl-3-nitrophenyl)quinoline-4-carboxamide
CID 134008354
4-methyl-N-[3-[4-[3-[(4-methylacridin-9-yl)amino]propyl]piperazin-1-yl]propyl]acridin-9-amine
CID 71653557
1-methyl-2-nitro-4-phenylbenzene
CID 12909826
[2-methoxy-5-[(4-methoxyacridin-9-yl)amino]phenyl]carbamic acid
CID 91007171
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitroaniline
CID 63536605
4-methyl-3-nitro-N-(1-phenylethyl)aniline
CID 11572424
5-bromo-6-methyl-N-(4-methyl-3-nitrophenyl)pyridin-2-amine
CID 114047534
1-benzyl-N-(4-methyl-3-nitrophenyl)imidazo[4,5-b]pyridin-2-amine
CID 70697456
4-methyl-N-(2-methyl-5-nitrophenyl)-3-nitroaniline
CID 170118098
2-[(E)-2-(4-methyl-3-nitrophenyl)ethenyl]quinoline-4-carboxylic acid
CID 9446901

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine?
The IUPAC name of 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine (CID 71375707) is 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine.
What is the SMILES notation for 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine?
The canonical SMILES for 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine is Cc1ccc(Nc2c3ccccc3nc3c(C)cccc23)cc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine?
The InChIKey is AYIJCPMEUZRDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-13-10-11-15(12-19(13)24(25)26)22-21-16-7-3-4-9-18(16)23-20-14(2)6-5-8-17(20)21/h3-12H,1-2H3,(H,22,23).
What are the key properties of 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine?
4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine has a molecular weight of 343.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methyl-3-nitrophenyl)acridin-9-amine is sourced from PubChem (CID 71375707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).