ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate

C21H21N3O5 — CID 11090541

IUPACethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate
SMILESCCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4C(=O)OCC
InChIInChI=1S/C21H21N3O5/c1-3-28-20(25)22-15-7-5-13-9-14-6-8-18-16(19(14)23-17(13)10-15)11-27-12-24(18)21(26)29-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,22,25)
InChIKeyYRZCISDEWRZORR-UHFFFAOYSA-N
MW395.42 g/mol
LogP4.41
Rot. Bonds3

About ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate

ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate (PubChem CID 11090541) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate
PubChem CID11090541
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Nameethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate
SMILESCCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4C(=O)OCC
InChIInChI=1S/C21H21N3O5/c1-3-28-20(25)22-15-7-5-13-9-14-6-8-18-16(19(14)23-17(13)10-15)11-27-12-24(18)21(26)29-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,22,25)
InChIKeyYRZCISDEWRZORR-UHFFFAOYSA-N
XLogP4.41
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)carbamate
CID 4897177
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ethyl N-isoquinolin-6-ylcarbamate
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ethyl N-(1-methyl-2-oxo-3H-indol-5-yl)carbamate
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ethyl N-[4-[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylcarbamoyl]phenyl]carbamate
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ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl N-(4-methylisoquinolin-6-yl)carbamate
CID 22674159
ethyl N-(3-chloro-4-hydroxyphenyl)carbamate
CID 64787909
[6-(ethoxycarbonylamino)naphthalen-2-yl] acetate
CID 68802695
ethyl N-[4-[(5-methyl-1,2-oxazol-3-yl)amino]phenyl]carbamate
CID 112990393
ethyl N-(4-formyl-3-methoxyphenyl)carbamate
CID 19765047
ethyl 2-(ethoxycarbonylamino)-5,6-dihydrobenzo[b][1]benzazepine-11-carboxylate
CID 2875816

Frequently Asked Questions

What is the IUPAC name of ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate?
The IUPAC name of ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate (CID 11090541) is ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate.
What is the SMILES notation for ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate?
The canonical SMILES for ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate is CCOC(=O)Nc1ccc2cc3ccc4c(c3nc2c1)COCN4C(=O)OCC.
What is the InChIKey of ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate?
The InChIKey is YRZCISDEWRZORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-3-28-20(25)22-15-7-5-13-9-14-6-8-18-16(19(14)23-17(13)10-15)11-27-12-24(18)21(26)29-4-2/h5-10H,3-4,11-12H2,1-2H3,(H,22,25).
What are the key properties of ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate?
ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate has a molecular weight of 395.42 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 10-(ethoxycarbonylamino)-1,3-dihydro-[1,3]oxazino[4,5-c]acridine-4-carboxylate is sourced from PubChem (CID 11090541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).