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

C17H17N3O3 — CID 10018345

IUPACethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc(N)c(CO)c3nc2c1
InChIInChI=1S/C17H17N3O3/c1-2-23-17(22)19-12-5-3-10-7-11-4-6-14(18)13(9-21)16(11)20-15(10)8-12/h3-8,21H,2,9,18H2,1H3,(H,19,22)
InChIKeyLWOXMUHFOJNGIH-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.03
Rot. Bonds3

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

ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate (PubChem CID 10018345) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate
PubChem CID10018345
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Nameethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc(N)c(CO)c3nc2c1
InChIInChI=1S/C17H17N3O3/c1-2-23-17(22)19-12-5-3-10-7-11-4-6-14(18)13(9-21)16(11)20-15(10)8-12/h3-8,21H,2,9,18H2,1H3,(H,19,22)
InChIKeyLWOXMUHFOJNGIH-UHFFFAOYSA-N
XLogP3.03
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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 ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate?
The IUPAC name of ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate (CID 10018345) is ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate?
The canonical SMILES for ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate is CCOC(=O)Nc1ccc2cc3ccc(N)c(CO)c3nc2c1.
What is the InChIKey of ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate?
The InChIKey is LWOXMUHFOJNGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-23-17(22)19-12-5-3-10-7-11-4-6-14(18)13(9-21)16(11)20-15(10)8-12/h3-8,21H,2,9,18H2,1H3,(H,19,22).
What are the key properties of ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate?
ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate has a molecular weight of 311.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-amino-5-(hydroxymethyl)acridin-3-yl]carbamate is sourced from PubChem (CID 10018345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).