methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate

C14H19N3O3 — CID 81005732

IUPACmethyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ncnc3c2CCCC3)CCO1
InChIInChI=1S/C14H19N3O3/c1-19-14(18)12-8-17(6-7-20-12)13-10-4-2-3-5-11(10)15-9-16-13/h9,12H,2-8H2,1H3
InChIKeyIJTOXDVSLFNRJY-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.73
Rot. Bonds2

About methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate

methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate (PubChem CID 81005732) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
PubChem CID81005732
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ncnc3c2CCCC3)CCO1
InChIInChI=1S/C14H19N3O3/c1-19-14(18)12-8-17(6-7-20-12)13-10-4-2-3-5-11(10)15-9-16-13/h9,12H,2-8H2,1H3
InChIKeyIJTOXDVSLFNRJY-UHFFFAOYSA-N
XLogP0.73
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate (CID 81005732) is methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate is COC(=O)C1CN(c2ncnc3c2CCCC3)CCO1.
What is the InChIKey of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate?
The InChIKey is IJTOXDVSLFNRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-19-14(18)12-8-17(6-7-20-12)13-10-4-2-3-5-11(10)15-9-16-13/h9,12H,2-8H2,1H3.
What are the key properties of methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate?
methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5,6,7,8-tetrahydroquinazolin-4-yl)morpholine-2-carboxylate is sourced from PubChem (CID 81005732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).