8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine

C22H14F2N4 — CID 165085235

IUPAC8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3c(F)cccc23)cc2c1CC=C2
InChIInChI=1S/C22H14F2N4/c23-18-6-2-5-17-20(18)27-21(13-7-9-25-10-8-13)28-22(17)26-15-11-14-3-1-4-16(14)19(24)12-15/h1-3,5-12H,4H2,(H,26,27,28)
InChIKeyVUGVMKOAUDJVNI-UHFFFAOYSA-N
MW372.38 g/mol
LogP5.28
Rot. Bonds3

About 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine

8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 165085235) has the molecular formula C22H14F2N4 and a molecular weight of 372.38 g/mol. Its IUPAC name is 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID165085235
Molecular FormulaC22H14F2N4
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC Name8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESFc1cc(Nc2nc(-c3ccncc3)nc3c(F)cccc23)cc2c1CC=C2
InChIInChI=1S/C22H14F2N4/c23-18-6-2-5-17-20(18)27-21(13-7-9-25-10-8-13)28-22(17)26-15-11-14-3-1-4-16(14)19(24)12-15/h1-3,5-12H,4H2,(H,26,27,28)
InChIKeyVUGVMKOAUDJVNI-UHFFFAOYSA-N
XLogP5.28
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.38
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine with MolForge

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Related Compounds

N-(1H-inden-5-yl)-8-methoxy-2-pyridin-4-ylquinazolin-4-amine
CID 165019705
N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 70789702
N-(3,4-difluorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180072
8-chloro-N-(3,4-difluorophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180050
N-(1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine
CID 165007443
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-pyridin-4-ylquinazolin-4-amine
CID 70789698
2-[(8-fluoro-2-pyridin-3-ylquinazolin-4-yl)amino]benzamide
CID 71273500
2-phenyl-N-pyridin-4-ylpyrido[4,3-d]pyrimidin-4-amine
CID 11162349
2-phenyl-N-pyridin-4-ylpyrido[3,4-d]pyrimidin-4-amine
CID 11771006
4-chloro-8-fluoro-2-phenylquinazoline
CID 114590404
3-N-(2-pyridin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yl)benzene-1,3-diamine
CID 135150949
6-chloro-N-(3,5-dichlorophenyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180045

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 165085235) is 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine is Fc1cc(Nc2nc(-c3ccncc3)nc3c(F)cccc23)cc2c1CC=C2.
What is the InChIKey of 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is VUGVMKOAUDJVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N4/c23-18-6-2-5-17-20(18)27-21(13-7-9-25-10-8-13)28-22(17)26-15-11-14-3-1-4-16(14)19(24)12-15/h1-3,5-12H,4H2,(H,26,27,28).
What are the key properties of 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine?
8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 372.38 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(7-fluoro-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 165085235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).