6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine

C21H16F2N4 — CID 71180161

IUPAC6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2cc(C)c(-c3ccc(F)c(F)c3)cc12
InChIInChI=1S/C21H16F2N4/c1-12-8-19-16(10-15(12)13-5-6-17(22)18(23)9-13)21(24-2)27-20(26-19)14-4-3-7-25-11-14/h3-11H,1-2H3,(H,24,26,27)
InChIKeyUOKOMKRFIZDBOZ-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.99
Rot. Bonds3

About 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine

6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180161) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180161
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2cc(C)c(-c3ccc(F)c(F)c3)cc12
InChIInChI=1S/C21H16F2N4/c1-12-8-19-16(10-15(12)13-5-6-17(22)18(23)9-13)21(24-2)27-20(26-19)14-4-3-7-25-11-14/h3-11H,1-2H3,(H,24,26,27)
InChIKeyUOKOMKRFIZDBOZ-UHFFFAOYSA-N
XLogP4.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180280
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-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099
7-(2,3-difluorophenyl)-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180451
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71274519

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180161) is 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2cc(C)c(-c3ccc(F)c(F)c3)cc12.
What is the InChIKey of 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is UOKOMKRFIZDBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-12-8-19-16(10-15(12)13-5-6-17(22)18(23)9-13)21(24-2)27-20(26-19)14-4-3-7-25-11-14/h3-11H,1-2H3,(H,24,26,27).
What are the key properties of 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 362.38 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).