2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine

C24H18FN5 — CID 70839657

IUPAC2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H18FN5/c25-14-17-10-4-5-11-18(17)22-27-21-13-7-6-12-19(21)23(28-22)29-24-20(15-26-30-24)16-8-2-1-3-9-16/h1-13,15H,14H2,(H2,26,27,28,29,30)
InChIKeyPQWZCFRKLXZNGV-UHFFFAOYSA-N
MW395.44 g/mol
LogP5.90
Rot. Bonds5

About 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine

2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine (PubChem CID 70839657) has the molecular formula C24H18FN5 and a molecular weight of 395.44 g/mol. Its IUPAC name is 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine
PubChem CID70839657
Molecular FormulaC24H18FN5
Molecular Weight395.44 g/mol
Exact Mass395.15
IUPAC Name2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine
SMILESFCc1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1
InChIInChI=1S/C24H18FN5/c25-14-17-10-4-5-11-18(17)22-27-21-13-7-6-12-19(21)23(28-22)29-24-20(15-26-30-24)16-8-2-1-3-9-16/h1-13,15H,14H2,(H2,26,27,28,29,30)
InChIKeyPQWZCFRKLXZNGV-UHFFFAOYSA-N
XLogP5.90
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.44
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1H-pyrazolo[3,4-b]quinolin-3-amine
CID 667632
N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine
CID 6419766
N-1H-indazol-5-yl-2-(6-methylpyridin-2-yl)quinazolin-4-amine
CID 9998128
Aminoquinazoline, 19
CID 24863072
6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
CID 46174165
VU2957
CID 134191471
N-(2,6-difluorophenyl)-7-(1H-1,2,4-triazol-5-yl)benzo[c][2,6]naphthyridin-5-amine
CID 57400854
1-(3-Fluorophenyl)-3-(3-((7-(1-methyl-1H-pyrazol-4-yl)quinazolin-4-yl)amino)phenyl)urea
CID 154573766
(4Z)-4-[(2E)-(4-fluorobenzylidene)hydrazinylidene]-2-(pyridin-3-yl)-3,4-dihydroquinazoline
CID 6866505
N-[(E)-1-(4-fluorophenyl)ethylideneamino]-2-pyridin-2-ylquinazolin-4-amine
CID 9636918
N-((1R)-1-phenylethyl)-6-(1H-pyrazolo(3,4-d)pyrimidin-4-yl)quinazolin-2-amine
CID 135281127
N-[2-phenyl-4-(1H-pyrazol-5-ylamino)quinazolin-7-yl]propanamide
CID 44820629

Frequently Asked Questions

What is the IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine?
The IUPAC name of 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine (CID 70839657) is 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine.
What is the SMILES notation for 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine?
The canonical SMILES for 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine is FCc1ccccc1-c1nc(Nc2[nH]ncc2-c2ccccc2)c2ccccc2n1.
What is the InChIKey of 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine?
The InChIKey is PQWZCFRKLXZNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN5/c25-14-17-10-4-5-11-18(17)22-27-21-13-7-6-12-19(21)23(28-22)29-24-20(15-26-30-24)16-8-2-1-3-9-16/h1-13,15H,14H2,(H2,26,27,28,29,30).
What are the key properties of 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine?
2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine has a molecular weight of 395.44 g/mol, XLogP of 5.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(fluoromethyl)phenyl]-N-(4-phenyl-1H-pyrazol-5-yl)quinazolin-4-amine is sourced from PubChem (CID 70839657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).