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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Related Compounds

N,N-dimethyl-2-phenylquinazolin-4-amine;ethane
CID 90692707
[2-(2,3-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62661816
3-[4-(dimethylamino)quinazolin-2-yl]-1H-pyridin-2-one
CID 59213518
2-(2,6-difluorophenyl)-N,N-diethylquinazolin-4-amine
CID 59212907
N,N-dimethyl-2-(1H-pyrrol-2-yl)quinazolin-4-amine
CID 59212834
6-chloro-2-[2-(dimethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 59212969
4-chloro-2-(2,3,4-trifluorophenyl)quinazoline
CID 79749850
2-[4-(diethylamino)phenyl]-N,N-dimethylquinazolin-4-amine
CID 130369805
N-methyl-N,2-diphenylquinazolin-4-amine
CID 10358104
2-(3,4-dimethoxyphenyl)-N,N-dimethylquinazolin-4-amine
CID 132524311
5-(2,3-difluorophenyl)quinoline
CID 167880208
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185

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).