9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine

C22H25ClN2O2 — CID 130345739

IUPAC9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
SMILESCOc1cc2c(Cl)c3cc(C)ccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C22H25ClN2O2/c1-15-6-7-18-16(12-15)22(23)17-13-20(26-2)21(14-19(17)24-18)27-11-5-10-25-8-3-4-9-25/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyCOFXOXUADNCVHJ-UHFFFAOYSA-N
MW384.91 g/mol
LogP5.22
Rot. Bonds6

About 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine

9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine (PubChem CID 130345739) has the molecular formula C22H25ClN2O2 and a molecular weight of 384.91 g/mol. Its IUPAC name is 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine.

Molecular Properties

Compound Name9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
PubChem CID130345739
Molecular FormulaC22H25ClN2O2
Molecular Weight384.91 g/mol
Exact Mass384.16
IUPAC Name9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine
SMILESCOc1cc2c(Cl)c3cc(C)ccc3nc2cc1OCCCN1CCCC1
InChIInChI=1S/C22H25ClN2O2/c1-15-6-7-18-16(12-15)22(23)17-13-20(26-2)21(14-19(17)24-18)27-11-5-10-25-8-3-4-9-25/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyCOFXOXUADNCVHJ-UHFFFAOYSA-N
XLogP5.22
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.91
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine 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

10-chloro-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridine
CID 137479056
9-chloro-2,3-dimethoxy-7-methylacridine
CID 19749412
2-methoxy-N-methyl-3-(3-piperidin-1-ylpropoxy)acridin-9-amine
CID 130345795
3-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]propan-1-ol
CID 130345683
4-chloro-8-methoxy-7-(3-piperidin-1-ylpropoxy)-2,3-dihydrocyclopenta[c]quinolin-1-one
CID 140883782
5-chloro-9-methoxy-3-methyl-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-benzo[c][2,7]naphthyridine
CID 135155512
6-chloro-10-methoxy-9-(3-pyrrolidin-1-ylpropoxy)-2,3,4,5-tetrahydro-1H-azepino[3,2-c]quinoline
CID 135155259
2-[[2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)acridin-9-yl]amino]acetic acid
CID 130345731
6-methoxy-4-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
CID 177382773
5-chloro-9-methoxy-8-(3-pyrrolidin-1-ylpropoxy)-2,4-dihydro-1H-pyrano[3,4-c]quinoline
CID 135155249
2-methoxy-N-methyl-3-(3-pyrrolidin-1-ylpropoxy)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine
CID 155284199
8-methoxy-N-propan-2-yl-7-(3-pyrrolidin-1-ylpropoxy)benzo[b][1,5]naphthyridin-10-amine
CID 130345803

Frequently Asked Questions

What is the IUPAC name of 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine?
The IUPAC name of 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine (CID 130345739) is 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine.
What is the SMILES notation for 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine?
The canonical SMILES for 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine is COc1cc2c(Cl)c3cc(C)ccc3nc2cc1OCCCN1CCCC1.
What is the InChIKey of 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine?
The InChIKey is COFXOXUADNCVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O2/c1-15-6-7-18-16(12-15)22(23)17-13-20(26-2)21(14-19(17)24-18)27-11-5-10-25-8-3-4-9-25/h6-7,12-14H,3-5,8-11H2,1-2H3.
What are the key properties of 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine?
9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine has a molecular weight of 384.91 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2-methoxy-7-methyl-3-(3-pyrrolidin-1-ylpropoxy)acridine is sourced from PubChem (CID 130345739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).