2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid

C20H19ClN2O3 — CID 155297661

IUPAC2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
SMILESC=C(C)c1ccc2c(=O)c3ccc(Cl)c(N(C)C)c3n(CC(=O)O)c2c1
InChIInChI=1S/C20H19ClN2O3/c1-11(2)12-5-6-13-16(9-12)23(10-17(24)25)18-14(20(13)26)7-8-15(21)19(18)22(3)4/h5-9H,1,10H2,2-4H3,(H,24,25)
InChIKeyTUSHIYDLQJXPDJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.99
Rot. Bonds4

About 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid

2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid (PubChem CID 155297661) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid.

Molecular Properties

Compound Name2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
PubChem CID155297661
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid
SMILESC=C(C)c1ccc2c(=O)c3ccc(Cl)c(N(C)C)c3n(CC(=O)O)c2c1
InChIInChI=1S/C20H19ClN2O3/c1-11(2)12-5-6-13-16(9-12)23(10-17(24)25)18-14(20(13)26)7-8-15(21)19(18)22(3)4/h5-9H,1,10H2,2-4H3,(H,24,25)
InChIKeyTUSHIYDLQJXPDJ-UHFFFAOYSA-N
XLogP3.99
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid?
The IUPAC name of 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid (CID 155297661) is 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid.
What is the SMILES notation for 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid?
The canonical SMILES for 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid is C=C(C)c1ccc2c(=O)c3ccc(Cl)c(N(C)C)c3n(CC(=O)O)c2c1.
What is the InChIKey of 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid?
The InChIKey is TUSHIYDLQJXPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-11(2)12-5-6-13-16(9-12)23(10-17(24)25)18-14(20(13)26)7-8-15(21)19(18)22(3)4/h5-9H,1,10H2,2-4H3,(H,24,25).
What are the key properties of 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid?
2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid has a molecular weight of 370.84 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-4-(dimethylamino)-9-oxo-6-prop-1-en-2-ylacridin-10-yl]acetic acid is sourced from PubChem (CID 155297661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).