ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate

C18H19N3O3 — CID 11067336

IUPACethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc(NC)c(CO)c3nc2c1
InChIInChI=1S/C18H19N3O3/c1-3-24-18(23)20-13-6-4-11-8-12-5-7-15(19-2)14(10-22)17(12)21-16(11)9-13/h4-9,19,22H,3,10H2,1-2H3,(H,20,23)
InChIKeyFPWGOJYFYJHMMB-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.49
Rot. Bonds4

About ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate

ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate (PubChem CID 11067336) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate
PubChem CID11067336
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Nameethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc(NC)c(CO)c3nc2c1
InChIInChI=1S/C18H19N3O3/c1-3-24-18(23)20-13-6-4-11-8-12-5-7-15(19-2)14(10-22)17(12)21-16(11)9-13/h4-9,19,22H,3,10H2,1-2H3,(H,20,23)
InChIKeyFPWGOJYFYJHMMB-UHFFFAOYSA-N
XLogP3.49
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate?
The IUPAC name of ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate (CID 11067336) is ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate?
The canonical SMILES for ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate is CCOC(=O)Nc1ccc2cc3ccc(NC)c(CO)c3nc2c1.
What is the InChIKey of ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate?
The InChIKey is FPWGOJYFYJHMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-24-18(23)20-13-6-4-11-8-12-5-7-15(19-2)14(10-22)17(12)21-16(11)9-13/h4-9,19,22H,3,10H2,1-2H3,(H,20,23).
What are the key properties of ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate?
ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate has a molecular weight of 325.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[5-(hydroxymethyl)-6-(methylamino)acridin-3-yl]carbamate is sourced from PubChem (CID 11067336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).