4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine

C19H20N2O — CID 45112793

IUPAC4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine
SMILESCc1cccc2c(NCC3CCCO3)c3ccccc3nc12
InChIInChI=1S/C19H20N2O/c1-13-6-4-9-16-18(13)21-17-10-3-2-8-15(17)19(16)20-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21)
InChIKeyDLQKKRJCGDEQPA-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.29
Rot. Bonds3

About 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine

4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine (PubChem CID 45112793) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine.

Molecular Properties

Compound Name4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine
PubChem CID45112793
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine
SMILESCc1cccc2c(NCC3CCCO3)c3ccccc3nc12
InChIInChI=1S/C19H20N2O/c1-13-6-4-9-16-18(13)21-17-10-3-2-8-15(17)19(16)20-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21)
InChIKeyDLQKKRJCGDEQPA-UHFFFAOYSA-N
XLogP4.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amino_acridine_A(46)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine?
The IUPAC name of 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine (CID 45112793) is 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine.
What is the SMILES notation for 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine?
The canonical SMILES for 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine is Cc1cccc2c(NCC3CCCO3)c3ccccc3nc12.
What is the InChIKey of 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine?
The InChIKey is DLQKKRJCGDEQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-13-6-4-9-16-18(13)21-17-10-3-2-8-15(17)19(16)20-12-14-7-5-11-22-14/h2-4,6,8-10,14H,5,7,11-12H2,1H3,(H,20,21).
What are the key properties of 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine?
4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine has a molecular weight of 292.38 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-2-ylmethyl)acridin-9-amine is sourced from PubChem (CID 45112793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).