methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate

C13H15N3O3 — CID 177206710

IUPACmethyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H]1COCCN1C(N)=N2
InChIInChI=1S/C13H15N3O3/c1-18-12(17)8-2-3-10-9(6-8)11-7-19-5-4-16(11)13(14)15-10/h2-3,6,11H,4-5,7H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyUNDFWPDKOMGTMJ-LLVKDONJSA-N
MW261.28 g/mol
LogP0.81
Rot. Bonds1

About methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate

methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate (PubChem CID 177206710) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate.

Molecular Properties

Compound Namemethyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate
PubChem CID177206710
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate
SMILESCOC(=O)c1ccc2c(c1)[C@H]1COCCN1C(N)=N2
InChIInChI=1S/C13H15N3O3/c1-18-12(17)8-2-3-10-9(6-8)11-7-19-5-4-16(11)13(14)15-10/h2-3,6,11H,4-5,7H2,1H3,(H2,14,15)/t11-/m1/s1
InChIKeyUNDFWPDKOMGTMJ-LLVKDONJSA-N
XLogP0.81
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate with MolForge

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Related Compounds

methyl (11bR)-6-amino-8-fluoro-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate
CID 177206593
methyl 3-(4-formyl-1,4-oxazepan-3-yl)-4-methylbenzoate
CID 157168590
4-(4-methoxycarbonyl-2-pyridinyl)morpholine-3-carboxylic acid
CID 114074932
4-(3-methoxycarbonylphenyl)morpholine-3-carboxylic acid
CID 117009158
trimethyl pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15(20),16,18-nonaene-4,11,17-tricarboxylate
CID 126722610
methyl (4S)-4-amino-3,4-dihydro-1H-isochromene-6-carboxylate
CID 131598738
methyl 4-amino-3-(morpholin-4-ylmethyl)benzoate
CID 142435878
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
tert-butyl (3R)-3-(5-amino-2-methoxycarbonyl-4-pyridinyl)morpholine-4-carboxylate
CID 177204743
methyl 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654
methyl 3-methyl-4-(oxiran-2-yl)benzoate
CID 176562012
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545

Frequently Asked Questions

What is the IUPAC name of methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate?
The IUPAC name of methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate (CID 177206710) is methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate.
What is the SMILES notation for methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate?
The canonical SMILES for methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate is COC(=O)c1ccc2c(c1)[C@H]1COCCN1C(N)=N2.
What is the InChIKey of methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate?
The InChIKey is UNDFWPDKOMGTMJ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-12(17)8-2-3-10-9(6-8)11-7-19-5-4-16(11)13(14)15-10/h2-3,6,11H,4-5,7H2,1H3,(H2,14,15)/t11-/m1/s1.
What are the key properties of methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate?
methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (11bS)-6-amino-1,3,4,11b-tetrahydro-[1,4]oxazino[4,3-c]quinazoline-10-carboxylate is sourced from PubChem (CID 177206710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).