formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine

C21H25N3O3 — CID 130345824

IUPACformic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
SMILESNc1cc(OCCCN2CCCC2)cc2nc3ccccc3cc12.O=CO
InChIInChI=1S/C20H23N3O.CH2O2/c21-18-13-16(24-11-5-10-23-8-3-4-9-23)14-20-17(18)12-15-6-1-2-7-19(15)22-20;2-1-3/h1-2,6-7,12-14H,3-5,8-11,21H2;1H,(H,2,3)
InChIKeyKRZPKJPBYPZKIH-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.54
Rot. Bonds5

About formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine

formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine (PubChem CID 130345824) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine.

Molecular Properties

Compound Nameformic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
PubChem CID130345824
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameformic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine
SMILESNc1cc(OCCCN2CCCC2)cc2nc3ccccc3cc12.O=CO
InChIInChI=1S/C20H23N3O.CH2O2/c21-18-13-16(24-11-5-10-23-8-3-4-9-23)14-20-17(18)12-15-6-1-2-7-19(15)22-20;2-1-3/h1-2,6-7,12-14H,3-5,8-11,21H2;1H,(H,2,3)
InChIKeyKRZPKJPBYPZKIH-UHFFFAOYSA-N
XLogP3.54
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-pyrrolidin-1-ylpropoxy)quinolin-2-amine
CID 175884266
2-(3-pyrrolidin-1-ylpropoxy)quinoline
CID 141047527
3,6-bis(4-piperidin-1-ylbutoxy)acridine
CID 20553482
7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine
CID 22649254
2-(C-naphthalen-1-ylsulfonylcarbonimidoyl)-4-(3-pyrrolidin-1-ylpropoxy)aniline
CID 89378484
[4-[2-[4-[3-(azepan-1-yl)propoxy]phenyl]ethyl]piperazin-1-yl]-naphthalen-1-ylmethanone;formic acid
CID 157151232
4-(3-pyrrolidin-1-ylpropoxy)pyridin-2-amine
CID 155587886
[4-(2-pyrrolidin-1-ylethoxy)phenyl]-[3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]quinolin-2-yl]methanone
CID 90670617
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
1-N,2-N-bis(3-piperidin-1-ylpropyl)acridine-1,2-diamine
CID 91527469
1-[3-(2-pyrrolidin-1-ylethoxy)-4-(trifluoromethyl)phenyl]acridine-3-carboxamide
CID 161026230
3-piperidin-1-ylpropyl quinolino[3,2-b][1,4]benzothiazine-6-carboxylate
CID 110174278

Frequently Asked Questions

What is the IUPAC name of formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine?
The IUPAC name of formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine (CID 130345824) is formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine.
What is the SMILES notation for formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine?
The canonical SMILES for formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine is Nc1cc(OCCCN2CCCC2)cc2nc3ccccc3cc12.O=CO.
What is the InChIKey of formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine?
The InChIKey is KRZPKJPBYPZKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O.CH2O2/c21-18-13-16(24-11-5-10-23-8-3-4-9-23)14-20-17(18)12-15-6-1-2-7-19(15)22-20;2-1-3/h1-2,6-7,12-14H,3-5,8-11,21H2;1H,(H,2,3).
What are the key properties of formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine?
formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine has a molecular weight of 367.45 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;3-(3-pyrrolidin-1-ylpropoxy)acridin-1-amine is sourced from PubChem (CID 130345824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).