2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one

C21H24N2O3 — CID 130345698

IUPAC2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
SMILESCOc1cc2c(=O)c3ccccc3[nH]c2cc1OCCCN1CCCC1
InChIInChI=1S/C21H24N2O3/c1-25-19-13-16-18(22-17-8-3-2-7-15(17)21(16)24)14-20(19)26-12-6-11-23-9-4-5-10-23/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,24)
InChIKeyPYHWVTVCFMKXFW-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.55
Rot. Bonds6

About 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one

2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one (PubChem CID 130345698) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one.

Molecular Properties

Compound Name2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
PubChem CID130345698
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one
SMILESCOc1cc2c(=O)c3ccccc3[nH]c2cc1OCCCN1CCCC1
InChIInChI=1S/C21H24N2O3/c1-25-19-13-16-18(22-17-8-3-2-7-15(17)21(16)24)14-20(19)26-12-6-11-23-9-4-5-10-23/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,24)
InChIKeyPYHWVTVCFMKXFW-UHFFFAOYSA-N
XLogP3.55
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
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'}

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Related Compounds

6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-2-(trifluoromethyl)-1H-quinolin-4-one
CID 118607473
8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrimido[5,4-b]indole
CID 137356427
8-methoxy-1-pyrrolidin-1-yl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356382
6-methoxy-2-(5-methylfuran-2-yl)-7-(3-pyrrolidin-1-ylpropoxy)-1H-quinolin-4-one
CID 129246462
N,N-diethyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356420
3-cyclopropyl-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole;hydrochloride
CID 137356805
1-fluoro-8-methoxy-3-methyl-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 166723373
4-cyclopentyl-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356172
8-methoxy-N-[(2S)-1-methoxypropan-2-yl]-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indol-1-amine
CID 137356287
4-(azetidin-1-yl)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-9H-pyrimido[4,5-b]indole
CID 137356284
1-(cyclopenten-1-yl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 137356310
1-(2-ethyl-4-pyridinyl)-8-methoxy-7-(3-pyrrolidin-1-ylpropoxy)-5H-pyrido[4,3-b]indole
CID 158382631

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one?
The IUPAC name of 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one (CID 130345698) is 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one.
What is the SMILES notation for 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one?
The canonical SMILES for 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one is COc1cc2c(=O)c3ccccc3[nH]c2cc1OCCCN1CCCC1.
What is the InChIKey of 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one?
The InChIKey is PYHWVTVCFMKXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-25-19-13-16-18(22-17-8-3-2-7-15(17)21(16)24)14-20(19)26-12-6-11-23-9-4-5-10-23/h2-3,7-8,13-14H,4-6,9-12H2,1H3,(H,22,24).
What are the key properties of 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one?
2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one has a molecular weight of 352.43 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-pyrrolidin-1-ylpropoxy)-10H-acridin-9-one is sourced from PubChem (CID 130345698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).