1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide

C19H20ClN3O3 — CID 139892440

IUPAC1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
SMILESCOc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(Cl)c3c(=O)c2c1
InChIInChI=1S/C19H20ClN3O3/c1-23(2)9-8-21-19(25)12-5-7-15-16(17(12)20)18(24)13-10-11(26-3)4-6-14(13)22-15/h4-7,10H,8-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJALXKSSDIJSPJR-UHFFFAOYSA-N
MW373.84 g/mol
LogP2.63
Rot. Bonds5

About 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide

1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide (PubChem CID 139892440) has the molecular formula C19H20ClN3O3 and a molecular weight of 373.84 g/mol. Its IUPAC name is 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide.

Molecular Properties

Compound Name1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
PubChem CID139892440
Molecular FormulaC19H20ClN3O3
Molecular Weight373.84 g/mol
Exact Mass373.12
IUPAC Name1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
SMILESCOc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(Cl)c3c(=O)c2c1
InChIInChI=1S/C19H20ClN3O3/c1-23(2)9-8-21-19(25)12-5-7-15-16(17(12)20)18(24)13-10-11(26-3)4-6-14(13)22-15/h4-7,10H,8-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJALXKSSDIJSPJR-UHFFFAOYSA-N
XLogP2.63
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide 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

N-[2-(dimethylamino)ethyl]-1-[2-[2-[[2-[2-(dimethylamino)ethylcarbamoyl]-7-methoxy-9-oxo-10H-acridin-1-yl]amino]ethyl-methylamino]ethylamino]-7-methoxy-9-oxo-10H-acridine-2-carboxamide
CID 139892437
2-chloro-N-[2-(dimethylamino)ethyl]-4-methoxybenzamide
CID 110763480
N-[2-(dimethylamino)ethyl]-2-iodo-5-methoxybenzamide
CID 172648728
2-chloro-N-[2-(dimethylamino)ethyl]-3,4-dihydroxybenzamide
CID 142493989
N-(2-hydroxyethyl)-6-methoxy-4-oxo-1H-quinoline-3-carboxamide
CID 43813799
diethyl-[2-[(6-methoxy-4-oxo-1H-quinoline-3-carbonyl)amino]ethyl]azanium
CID 7391278
N-[2-(dimethylamino)ethyl]-8-methoxy-2-oxobenzo[h]chromene-3-carboxamide
CID 54752572
2-chloro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]benzamide
CID 113086116
N-[2-(dimethylamino)ethyl]-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203942
2-hydroxy-5-methoxy-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641545
2,7-bis[2-(dimethylamino)ethoxy]-10H-acridin-9-one
CID 57439652
N-[2-(dimethylamino)ethyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692285

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The IUPAC name of 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide (CID 139892440) is 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide.
What is the SMILES notation for 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The canonical SMILES for 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide is COc1ccc2[nH]c3ccc(C(=O)NCCN(C)C)c(Cl)c3c(=O)c2c1.
What is the InChIKey of 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
The InChIKey is JALXKSSDIJSPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O3/c1-23(2)9-8-21-19(25)12-5-7-15-16(17(12)20)18(24)13-10-11(26-3)4-6-14(13)22-15/h4-7,10H,8-9H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide?
1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide has a molecular weight of 373.84 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-[2-(dimethylamino)ethyl]-7-methoxy-9-oxo-10H-acridine-2-carboxamide is sourced from PubChem (CID 139892440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).