(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate

C17H22N4O4 — CID 167197487

IUPAC(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C17H22N4O4/c1-10-9-20(3)5-6-21(10)17(23)25-15-7-12-13(8-14(15)24-4)18-11(2)19-16(12)22/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,22)/t10-/m1/s1
InChIKeyFMJDFVGHNQKBFA-SNVBAGLBSA-N
MW346.39 g/mol
LogP1.37
Rot. Bonds2

About (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate

(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate (PubChem CID 167197487) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
PubChem CID167197487
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate
SMILESCOc1cc2nc(C)[nH]c(=O)c2cc1OC(=O)N1CCN(C)C[C@H]1C
InChIInChI=1S/C17H22N4O4/c1-10-9-20(3)5-6-21(10)17(23)25-15-7-12-13(8-14(15)24-4)18-11(2)19-16(12)22/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,22)/t10-/m1/s1
InChIKeyFMJDFVGHNQKBFA-SNVBAGLBSA-N
XLogP1.37
TPSA87.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate?
The IUPAC name of (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate (CID 167197487) is (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate.
What is the SMILES notation for (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate?
The canonical SMILES for (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate is COc1cc2nc(C)[nH]c(=O)c2cc1OC(=O)N1CCN(C)C[C@H]1C.
What is the InChIKey of (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate?
The InChIKey is FMJDFVGHNQKBFA-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10-9-20(3)5-6-21(10)17(23)25-15-7-12-13(8-14(15)24-4)18-11(2)19-16(12)22/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,22)/t10-/m1/s1.
What are the key properties of (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate?
(7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate has a molecular weight of 346.39 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-2-methyl-4-oxo-3H-quinazolin-6-yl) (2R)-2,4-dimethylpiperazine-1-carboxylate is sourced from PubChem (CID 167197487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).