6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine

C21H16F2N4 — CID 71274702

IUPAC6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12
InChIInChI=1S/C21H16F2N4/c1-2-25-21-17-10-13(16-7-6-15(22)11-18(16)23)5-8-19(17)26-20(27-21)14-4-3-9-24-12-14/h3-12H,2H2,1H3,(H,25,26,27)
InChIKeyDOCKYVLLNGFZAM-UHFFFAOYSA-N
MW362.38 g/mol
LogP5.07
Rot. Bonds4

About 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine

6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274702) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274702
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12
InChIInChI=1S/C21H16F2N4/c1-2-25-21-17-10-13(16-7-6-15(22)11-18(16)23)5-8-19(17)26-20(27-21)14-4-3-9-24-12-14/h3-12H,2H2,1H3,(H,25,26,27)
InChIKeyDOCKYVLLNGFZAM-UHFFFAOYSA-N
XLogP5.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.38
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71151562
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
N-benzyl-7-fluoro-2-pyridin-3-ylquinazolin-4-amine;dihydrochloride
CID 19392183
2-[[7-(2,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-yl]amino]benzamide
CID 71181221
2-[4-(3,4-difluoroanilino)-2-pyridin-3-ylquinazolin-6-yl]benzonitrile
CID 71180181
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-[2-(4-fluorophenyl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 9311182
N-benzyl-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71181024
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890

Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine (CID 71274702) is 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine is CCNc1nc(-c2cccnc2)nc2ccc(-c3ccc(F)cc3F)cc12.
What is the InChIKey of 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is DOCKYVLLNGFZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-2-25-21-17-10-13(16-7-6-15(22)11-18(16)23)5-8-19(17)26-20(27-21)14-4-3-9-24-12-14/h3-12H,2H2,1H3,(H,25,26,27).
What are the key properties of 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine?
6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 362.38 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluorophenyl)-N-ethyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).