2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane

C19H23F2N3 — CID 156832886

IUPAC2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane
SMILESCC.CC.Cc1ncc2cc(-c3c(F)ccc(N)c3F)ccc2n1
InChIInChI=1S/C15H11F2N3.2C2H6/c1-8-19-7-10-6-9(2-5-13(10)20-8)14-11(16)3-4-12(18)15(14)17;2*1-2/h2-7H,18H2,1H3;2*1-2H3
InChIKeyPMDGPSUDKNLQBL-UHFFFAOYSA-N
MW331.41 g/mol
LogP5.52
Rot. Bonds1

About 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane

2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane (PubChem CID 156832886) has the molecular formula C19H23F2N3 and a molecular weight of 331.41 g/mol. Its IUPAC name is 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane.

Molecular Properties

Compound Name2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane
PubChem CID156832886
Molecular FormulaC19H23F2N3
Molecular Weight331.41 g/mol
Exact Mass331.19
IUPAC Name2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane
SMILESCC.CC.Cc1ncc2cc(-c3c(F)ccc(N)c3F)ccc2n1
InChIInChI=1S/C15H11F2N3.2C2H6/c1-8-19-7-10-6-9(2-5-13(10)20-8)14-11(16)3-4-12(18)15(14)17;2*1-2/h2-7H,18H2,1H3;2*1-2H3
InChIKeyPMDGPSUDKNLQBL-UHFFFAOYSA-N
XLogP5.52
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline
CID 156832887
6-[2,6-difluoro-3-[(3-fluoro-4-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine;ethane
CID 156833105
N-[6-(3-amino-2,6-difluorophenyl)quinazolin-2-yl]-2,2-dimethylpropanamide;3-fluoro-5-(trifluoromethyl)benzenethiol;molecular hydrogen;dihydrate
CID 156833043
6-(2,6-dichloro-3,5-dimethoxyphenyl)-2-methylquinazoline
CID 118048952
6-[2,6-difluoro-3-[(3-methylphenyl)sulfanylamino]phenyl]quinazolin-2-amine
CID 156833423
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3-chloro-4-methylbenzenesulfonamide
CID 156833311
3-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2-methoxy-5-methylbenzenesulfonamide
CID 175850289
2-amino-6-(3-amino-2,6-difluorophenyl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 170437515
6-[2,6-difluoro-3-[(2,4,5-trichlorophenyl)sulfanylamino]phenyl]quinazolin-2-amine
CID 156832892
6-[3-[(2,5-dichlorophenyl)sulfanylamino]-2,6-difluorophenyl]quinazolin-2-amine
CID 156833178
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-2,5-dichlorobenzenesulfonamide
CID 156833222
N-[3-(2-aminoquinazolin-6-yl)-2,4-difluorophenyl]-3,4-dichlorobenzenesulfonamide
CID 156833076

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane?
The IUPAC name of 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane (CID 156832886) is 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane.
What is the SMILES notation for 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane?
The canonical SMILES for 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane is CC.CC.Cc1ncc2cc(-c3c(F)ccc(N)c3F)ccc2n1.
What is the InChIKey of 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane?
The InChIKey is PMDGPSUDKNLQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3.2C2H6/c1-8-19-7-10-6-9(2-5-13(10)20-8)14-11(16)3-4-12(18)15(14)17;2*1-2/h2-7H,18H2,1H3;2*1-2H3.
What are the key properties of 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane?
2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane has a molecular weight of 331.41 g/mol, XLogP of 5.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-(2-methylquinazolin-6-yl)aniline;ethane is sourced from PubChem (CID 156832886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).