N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine

C19H15F2N3O — CID 56553921

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
SMILESCC(Nc1nc(C(F)F)nc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C19H15F2N3O/c1-11(16-10-12-6-2-5-9-15(12)25-16)22-18-13-7-3-4-8-14(13)23-19(24-18)17(20)21/h2-11,17H,1H3,(H,22,23,24)
InChIKeyNYIBKISPJPPSRU-UHFFFAOYSA-N
MW339.35 g/mol
LogP5.49
Rot. Bonds4

About N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine

N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine (PubChem CID 56553921) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
PubChem CID56553921
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine
SMILESCC(Nc1nc(C(F)F)nc2ccccc12)c1cc2ccccc2o1
InChIInChI=1S/C19H15F2N3O/c1-11(16-10-12-6-2-5-9-15(12)25-16)22-18-13-7-3-4-8-14(13)23-19(24-18)17(20)21/h2-11,17H,1H3,(H,22,23,24)
InChIKeyNYIBKISPJPPSRU-UHFFFAOYSA-N
XLogP5.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.35
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 8567794
(2S)-2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-3-methylbutanoic acid
CID 122049640
2-(difluoromethyl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]quinazolin-4-amine
CID 56575108
N-[1-(1-benzofuran-2-yl)ethyl]-3-fluoroaniline
CID 43194276
2-(difluoromethyl)-N-[(4-methylphenyl)methyl]quinazolin-4-amine
CID 56553646
[2-[1-(1-benzofuran-2-yl)ethylamino]phenyl]methanol
CID 43743209
N-[1-(1-benzofuran-2-yl)ethyl]-3-nitropyridin-2-amine
CID 46827983
2-(difluoromethyl)-N-[(3-methylphenyl)-pyridin-2-ylmethyl]quinazolin-4-amine
CID 133414736
4-N-[1-(1-benzofuran-2-yl)ethyl]-2-N,2-N-dimethyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 133431839
N-[1-(1-benzofuran-2-yl)ethyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 43049478
N-[1-(1-benzofuran-2-yl)ethyl]-2-ethylaniline
CID 43102235
2-(difluoromethyl)-N-[(4-methoxyoxan-4-yl)methyl]quinazolin-4-amine
CID 133399873

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine (CID 56553921) is N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine is CC(Nc1nc(C(F)F)nc2ccccc12)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine?
The InChIKey is NYIBKISPJPPSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-11(16-10-12-6-2-5-9-15(12)25-16)22-18-13-7-3-4-8-14(13)23-19(24-18)17(20)21/h2-11,17H,1H3,(H,22,23,24).
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine has a molecular weight of 339.35 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-2-(difluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 56553921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).