4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine

C16H13F2N3O2 — CID 70192478

IUPAC4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3cccc(F)c3F)c2cc1OC
InChIInChI=1S/C16H13F2N3O2/c1-22-12-6-9-11(7-13(12)23-2)20-16(19)21-15(9)8-4-3-5-10(17)14(8)18/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyXGIKPXNCRFFUDO-UHFFFAOYSA-N
MW317.30 g/mol
LogP3.17
Rot. Bonds3

About 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine

4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine (PubChem CID 70192478) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine
PubChem CID70192478
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine
SMILESCOc1cc2nc(N)nc(-c3cccc(F)c3F)c2cc1OC
InChIInChI=1S/C16H13F2N3O2/c1-22-12-6-9-11(7-13(12)23-2)20-16(19)21-15(9)8-4-3-5-10(17)14(8)18/h3-7H,1-2H3,(H2,19,20,21)
InChIKeyXGIKPXNCRFFUDO-UHFFFAOYSA-N
XLogP3.17
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethoxy-4-(2-methylphenyl)quinazolin-2-amine
CID 70192475
4-(4-chlorophenyl)-6,7-dimethoxyquinazolin-2-amine
CID 22626608
1,2-difluoro-3-(2-methoxyphenyl)benzene
CID 57230342
2-(2,6-difluorophenyl)-6,7-dimethoxy-4-methylquinoline
CID 169417094
3-chloro-5-(2,3-difluorophenyl)-4-methoxypyridine
CID 133087903
1,2-difluoro-3-(2-methoxy-5-methylphenyl)benzene
CID 119008947
4-(2,3-difluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80879795
2-(2-fluoro-6-methoxyphenyl)-6,7-dimethoxy-4-methylquinoline
CID 169418540
2-(2,3-difluorophenyl)-6-methoxyphenol
CID 83130446
2,3,6,7-tetramethoxy-9-methylacridine
CID 46187785
4-(3-aminophenyl)-6,7-dimethoxy-N-methylquinazolin-2-amine
CID 15540531
4-(2,3-difluorophenyl)-6-ethylpyrimidin-2-amine
CID 158331636

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The IUPAC name of 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine (CID 70192478) is 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The canonical SMILES for 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine is COc1cc2nc(N)nc(-c3cccc(F)c3F)c2cc1OC.
What is the InChIKey of 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
The InChIKey is XGIKPXNCRFFUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-22-12-6-9-11(7-13(12)23-2)20-16(19)21-15(9)8-4-3-5-10(17)14(8)18/h3-7H,1-2H3,(H2,19,20,21).
What are the key properties of 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine?
4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine has a molecular weight of 317.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6,7-dimethoxyquinazolin-2-amine is sourced from PubChem (CID 70192478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).