methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate

C12H13N3O2 — CID 175917571

IUPACmethyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate
SMILESCNc1cc2cnc(C)nc2cc1C(=O)OC
InChIInChI=1S/C12H13N3O2/c1-7-14-6-8-4-11(13-2)9(12(16)17-3)5-10(8)15-7/h4-6,13H,1-3H3
InChIKeyKMKBPNFOCXWPGT-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.77
Rot. Bonds2

About methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate

methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate (PubChem CID 175917571) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate
PubChem CID175917571
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Namemethyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate
SMILESCNc1cc2cnc(C)nc2cc1C(=O)OC
InChIInChI=1S/C12H13N3O2/c1-7-14-6-8-4-11(13-2)9(12(16)17-3)5-10(8)15-7/h4-6,13H,1-3H3
InChIKeyKMKBPNFOCXWPGT-UHFFFAOYSA-N
XLogP1.77
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate?
The IUPAC name of methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate (CID 175917571) is methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate.
What is the SMILES notation for methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate?
The canonical SMILES for methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate is CNc1cc2cnc(C)nc2cc1C(=O)OC.
What is the InChIKey of methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate?
The InChIKey is KMKBPNFOCXWPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7-14-6-8-4-11(13-2)9(12(16)17-3)5-10(8)15-7/h4-6,13H,1-3H3.
What are the key properties of methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate?
methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-6-(methylamino)quinazoline-7-carboxylate is sourced from PubChem (CID 175917571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).