7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine

C21H16F2N4 — CID 71180280

IUPAC7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C21H16F2N4/c1-12-15(13-5-8-17(22)18(23)10-13)6-7-16-19(12)26-20(27-21(16)24-2)14-4-3-9-25-11-14/h3-11H,1-2H3,(H,24,26,27)
InChIKeyJGCFSVASDABGAP-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.99
Rot. Bonds3

About 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine

7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71180280) has the molecular formula C21H16F2N4 and a molecular weight of 362.38 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71180280
Molecular FormulaC21H16F2N4
Molecular Weight362.38 g/mol
Exact Mass362.13
IUPAC Name7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(F)c(F)c3)ccc12
InChIInChI=1S/C21H16F2N4/c1-12-15(13-5-8-17(22)18(23)10-13)6-7-16-19(12)26-20(27-21(16)24-2)14-4-3-9-25-11-14/h3-11H,1-2H3,(H,24,26,27)
InChIKeyJGCFSVASDABGAP-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

Analyze 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[8-methyl-4-(methylamino)-2-pyridin-3-ylquinazolin-7-yl]benzonitrile
CID 71274618
6-(3,4-difluorophenyl)-N,7-dimethyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180161
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
7-fluoro-6-(3-fluorophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71151562
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
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-bromo-4-(methylamino)-2-pyridin-3-ylquinazolin-8-ol
CID 71151557
N-methyl-2-pyridin-3-ylquinazolin-4-amine;propane
CID 142952952

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine (CID 71180280) is 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2c(C)c(-c3ccc(F)c(F)c3)ccc12.
What is the InChIKey of 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is JGCFSVASDABGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4/c1-12-15(13-5-8-17(22)18(23)10-13)6-7-16-19(12)26-20(27-21(16)24-2)14-4-3-9-25-11-14/h3-11H,1-2H3,(H,24,26,27).
What are the key properties of 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine?
7-(3,4-difluorophenyl)-N,8-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 7-(3,4-difluorophenyl)-N,8-dimethyl-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71180280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).