2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine

C16H13F2N3 — CID 59213691

IUPAC2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(-c2cccc(F)c2F)nc2ccccc12
InChIInChI=1S/C16H13F2N3/c1-21(2)16-10-6-3-4-9-13(10)19-15(20-16)11-7-5-8-12(17)14(11)18/h3-9H,1-2H3
InChIKeyWJIDWHUPLDXKKU-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.64
Rot. Bonds2

About 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine

2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine (PubChem CID 59213691) has the molecular formula C16H13F2N3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
PubChem CID59213691
Molecular FormulaC16H13F2N3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(-c2cccc(F)c2F)nc2ccccc12
InChIInChI=1S/C16H13F2N3/c1-21(2)16-10-6-3-4-9-13(10)19-15(20-16)11-7-5-8-12(17)14(11)18/h3-9H,1-2H3
InChIKeyWJIDWHUPLDXKKU-UHFFFAOYSA-N
XLogP3.64
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine (CID 59213691) is 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(-c2cccc(F)c2F)nc2ccccc12.
What is the InChIKey of 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine?
The InChIKey is WJIDWHUPLDXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3/c1-21(2)16-10-6-3-4-9-13(10)19-15(20-16)11-7-5-8-12(17)14(11)18/h3-9H,1-2H3.
What are the key properties of 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine?
2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine has a molecular weight of 285.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 59213691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).