ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate

C18H17N3O3 — CID 15439340

IUPACethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4
InChIInChI=1S/C18H17N3O3/c1-2-24-18(22)20-13-5-3-11-7-12-4-6-15-14(9-23-10-19-15)17(12)21-16(11)8-13/h3-8,19H,2,9-10H2,1H3,(H,20,22)
InChIKeyCICJQDIFTMGHTR-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.86
Rot. Bonds2

About ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate

ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate (PubChem CID 15439340) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate
PubChem CID15439340
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate
SMILESCCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4
InChIInChI=1S/C18H17N3O3/c1-2-24-18(22)20-13-5-3-11-7-12-4-6-15-14(9-23-10-19-15)17(12)21-16(11)8-13/h3-8,19H,2,9-10H2,1H3,(H,20,22)
InChIKeyCICJQDIFTMGHTR-UHFFFAOYSA-N
XLogP3.86
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
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-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate?
The IUPAC name of ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate (CID 15439340) is ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate.
What is the SMILES notation for ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate?
The canonical SMILES for ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate is CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4.
What is the InChIKey of ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate?
The InChIKey is CICJQDIFTMGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-18(22)20-13-5-3-11-7-12-4-6-15-14(9-23-10-19-15)17(12)21-16(11)8-13/h3-8,19H,2,9-10H2,1H3,(H,20,22).
What are the key properties of ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate?
ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3,4-dihydro-1H-[1,3]oxazino[4,5-c]acridin-10-yl)carbamate is sourced from PubChem (CID 15439340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).