2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine

C18H17F2N3 — CID 59212907

IUPAC2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1nc(-c2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C18H17F2N3/c1-3-23(4-2)18-12-8-5-6-11-15(12)21-17(22-18)16-13(19)9-7-10-14(16)20/h5-11H,3-4H2,1-2H3
InChIKeyAAHVQJXWNHHISM-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.42
Rot. Bonds4

About 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine

2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine (PubChem CID 59212907) has the molecular formula C18H17F2N3 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine
PubChem CID59212907
Molecular FormulaC18H17F2N3
Molecular Weight313.35 g/mol
Exact Mass313.14
IUPAC Name2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine
SMILESCCN(CC)c1nc(-c2c(F)cccc2F)nc2ccccc12
InChIInChI=1S/C18H17F2N3/c1-3-23(4-2)18-12-8-5-6-11-15(12)21-17(22-18)16-13(19)9-7-10-14(16)20/h5-11H,3-4H2,1-2H3
InChIKeyAAHVQJXWNHHISM-UHFFFAOYSA-N
XLogP4.42
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine?
The IUPAC name of 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine (CID 59212907) is 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine.
What is the SMILES notation for 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine?
The canonical SMILES for 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine is CCN(CC)c1nc(-c2c(F)cccc2F)nc2ccccc12.
What is the InChIKey of 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine?
The InChIKey is AAHVQJXWNHHISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3/c1-3-23(4-2)18-12-8-5-6-11-15(12)21-17(22-18)16-13(19)9-7-10-14(16)20/h5-11H,3-4H2,1-2H3.
What are the key properties of 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine?
2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine has a molecular weight of 313.35 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine is sourced from PubChem (CID 59212907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).