5-chloro-N-methyl-2-nitrosoacridin-9-amine

C14H10ClN3O — CID 86110495

IUPAC5-chloro-N-methyl-2-nitrosoacridin-9-amine
SMILESCNc1c2cc(N=O)ccc2nc2c(Cl)cccc12
InChIInChI=1S/C14H10ClN3O/c1-16-13-9-3-2-4-11(15)14(9)17-12-6-5-8(18-19)7-10(12)13/h2-7H,1H3,(H,16,17)
InChIKeyZXQGWDNDIVMVHA-UHFFFAOYSA-N
MW271.71 g/mol
LogP4.48
Rot. Bonds2

About 5-chloro-N-methyl-2-nitrosoacridin-9-amine

5-chloro-N-methyl-2-nitrosoacridin-9-amine (PubChem CID 86110495) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-nitrosoacridin-9-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-2-nitrosoacridin-9-amine
PubChem CID86110495
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name5-chloro-N-methyl-2-nitrosoacridin-9-amine
SMILESCNc1c2cc(N=O)ccc2nc2c(Cl)cccc12
InChIInChI=1S/C14H10ClN3O/c1-16-13-9-3-2-4-11(15)14(9)17-12-6-5-8(18-19)7-10(12)13/h2-7H,1H3,(H,16,17)
InChIKeyZXQGWDNDIVMVHA-UHFFFAOYSA-N
XLogP4.48
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 54.48
H-Bond Donors ≤ 51
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'}

Analyze 5-chloro-N-methyl-2-nitrosoacridin-9-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N,5-dimethylacridin-9-amine
CID 86110463
2-tert-butyl-8-chloro-N-methylquinolin-4-amine
CID 63480466
8-chloro-N,N-dimethyl-2-(methylamino)quinoline-4-carboxamide
CID 53016644
8-chloro-2-cyclopropyl-N-methylquinolin-4-amine
CID 63358201
2-chloro-N-methyl-6-methylsulfonylaniline
CID 21161571
6-chloro-N,2-dimethylacridin-9-amine
CID 86110461
4-chloro-9-phenoxyacridine
CID 71390850
(E)-3-(8-chloro-2-methylquinolin-4-yl)prop-2-enoic acid
CID 82448940
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
2-bromo-8-chloro-4-methylquinoline
CID 82580985
dimethyl 8-chloroquinoline-2,4-dicarboxylate
CID 118171241
2-(8-chloro-4-methylquinolin-2-yl)-N-methylethanamine
CID 84627983

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-nitrosoacridin-9-amine?
The IUPAC name of 5-chloro-N-methyl-2-nitrosoacridin-9-amine (CID 86110495) is 5-chloro-N-methyl-2-nitrosoacridin-9-amine.
What is the SMILES notation for 5-chloro-N-methyl-2-nitrosoacridin-9-amine?
The canonical SMILES for 5-chloro-N-methyl-2-nitrosoacridin-9-amine is CNc1c2cc(N=O)ccc2nc2c(Cl)cccc12.
What is the InChIKey of 5-chloro-N-methyl-2-nitrosoacridin-9-amine?
The InChIKey is ZXQGWDNDIVMVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-16-13-9-3-2-4-11(15)14(9)17-12-6-5-8(18-19)7-10(12)13/h2-7H,1H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-2-nitrosoacridin-9-amine?
5-chloro-N-methyl-2-nitrosoacridin-9-amine has a molecular weight of 271.71 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-nitrosoacridin-9-amine is sourced from PubChem (CID 86110495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).