6-methoxy-N-methyl-4-propoxyquinazolin-2-amine

C13H17N3O2 — CID 68764618

IUPAC6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
SMILESCCCOc1nc(NC)nc2ccc(OC)cc12
InChIInChI=1S/C13H17N3O2/c1-4-7-18-12-10-8-9(17-3)5-6-11(10)15-13(14-2)16-12/h5-6,8H,4,7H2,1-3H3,(H,14,15,16)
InChIKeyHWNKCRCJMAMNPK-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.47
Rot. Bonds5

About 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine

6-methoxy-N-methyl-4-propoxyquinazolin-2-amine (PubChem CID 68764618) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine.

Molecular Properties

Compound Name6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
PubChem CID68764618
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name6-methoxy-N-methyl-4-propoxyquinazolin-2-amine
SMILESCCCOc1nc(NC)nc2ccc(OC)cc12
InChIInChI=1S/C13H17N3O2/c1-4-7-18-12-10-8-9(17-3)5-6-11(10)15-13(14-2)16-12/h5-6,8H,4,7H2,1-3H3,(H,14,15,16)
InChIKeyHWNKCRCJMAMNPK-UHFFFAOYSA-N
XLogP2.47
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine?
The IUPAC name of 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine (CID 68764618) is 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine.
What is the SMILES notation for 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine?
The canonical SMILES for 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine is CCCOc1nc(NC)nc2ccc(OC)cc12.
What is the InChIKey of 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine?
The InChIKey is HWNKCRCJMAMNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-4-7-18-12-10-8-9(17-3)5-6-11(10)15-13(14-2)16-12/h5-6,8H,4,7H2,1-3H3,(H,14,15,16).
What are the key properties of 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine?
6-methoxy-N-methyl-4-propoxyquinazolin-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-methyl-4-propoxyquinazolin-2-amine is sourced from PubChem (CID 68764618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).