2-amino-6,7-dimethoxyquinoline-3-carboxamide

C12H13N3O3 — CID 781584

IUPAC2-amino-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2cc(C(N)=O)c(N)nc2cc1OC
InChIInChI=1S/C12H13N3O3/c1-17-9-4-6-3-7(12(14)16)11(13)15-8(6)5-10(9)18-2/h3-5H,1-2H3,(H2,13,15)(H2,14,16)
InChIKeyAAZKQXRGMFBMCF-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.93
Rot. Bonds3

About 2-amino-6,7-dimethoxyquinoline-3-carboxamide

2-amino-6,7-dimethoxyquinoline-3-carboxamide (PubChem CID 781584) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-amino-6,7-dimethoxyquinoline-3-carboxamide.

Molecular Properties

Compound Name2-amino-6,7-dimethoxyquinoline-3-carboxamide
PubChem CID781584
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2-amino-6,7-dimethoxyquinoline-3-carboxamide
SMILESCOc1cc2cc(C(N)=O)c(N)nc2cc1OC
InChIInChI=1S/C12H13N3O3/c1-17-9-4-6-3-7(12(14)16)11(13)15-8(6)5-10(9)18-2/h3-5H,1-2H3,(H2,13,15)(H2,14,16)
InChIKeyAAZKQXRGMFBMCF-UHFFFAOYSA-N
XLogP0.93
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,7-dimethoxyquinoline-3-carboxamide?
The IUPAC name of 2-amino-6,7-dimethoxyquinoline-3-carboxamide (CID 781584) is 2-amino-6,7-dimethoxyquinoline-3-carboxamide.
What is the SMILES notation for 2-amino-6,7-dimethoxyquinoline-3-carboxamide?
The canonical SMILES for 2-amino-6,7-dimethoxyquinoline-3-carboxamide is COc1cc2cc(C(N)=O)c(N)nc2cc1OC.
What is the InChIKey of 2-amino-6,7-dimethoxyquinoline-3-carboxamide?
The InChIKey is AAZKQXRGMFBMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-17-9-4-6-3-7(12(14)16)11(13)15-8(6)5-10(9)18-2/h3-5H,1-2H3,(H2,13,15)(H2,14,16).
What are the key properties of 2-amino-6,7-dimethoxyquinoline-3-carboxamide?
2-amino-6,7-dimethoxyquinoline-3-carboxamide has a molecular weight of 247.25 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,7-dimethoxyquinoline-3-carboxamide is sourced from PubChem (CID 781584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).