[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium

C24H18F2N5+ — CID 142127216

IUPAC[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
SMILESFc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1
InChIInChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1
InChIKeyZFIFDZMZWLCECJ-UHFFFAOYSA-O
MW414.44 g/mol
LogP4.86
Rot. Bonds4

About [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium

[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium (PubChem CID 142127216) has the molecular formula C24H18F2N5+ and a molecular weight of 414.44 g/mol. Its IUPAC name is [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium.

Molecular Properties

Compound Name[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
PubChem CID142127216
Molecular FormulaC24H18F2N5+
Molecular Weight414.44 g/mol
Exact Mass414.15
IUPAC Name[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium
SMILESFc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1
InChIInChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1
InChIKeyZFIFDZMZWLCECJ-UHFFFAOYSA-O
XLogP4.86
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium with MolForge

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Related Compounds

2-(2-cyclopropylphenyl)-3H-quinazolin-4-one
CID 168551670
2-[4-[(5,7-difluoro-1H-indazol-3-yl)amino]quinazolin-2-yl]phenol
CID 135597702
2-(2-cyclopropylphenyl)-N-[(4R)-4-ethyl-5-methyl-4H-imidazol-2-yl]quinazolin-4-amine
CID 142128023
2-cyclopropyl-6,8-difluoroquinolin-4-amine
CID 63357751
[2-(2,4-difluorophenyl)quinazolin-4-yl]hydrazine
CID 62241786
3-[[8-cyclopropyl-2-(5,7-difluoro-1H-indol-3-yl)quinazolin-4-yl]methyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 159372182
N,2-bis(2-fluorophenyl)quinazolin-4-amine
CID 757185
2-(2-cyclopropylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-(2-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine;2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzamide;bis(N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-propan-2-ylphenyl)quinazolin-4-amine)
CID 160867602
2-(2-fluorophenyl)-N-(oxolan-2-ylmethyl)quinazolin-4-amine
CID 2928261
2,9-bis(2-cyclohexylphenyl)-4,7-diphenyl-1,10-phenanthroline
CID 22972033
3-(2-cyclopropylphenyl)pyridine-2,6-diamine
CID 139370145
2,4-di(cycloheptyl)quinoline
CID 102287127

Frequently Asked Questions

What is the IUPAC name of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The IUPAC name of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium (CID 142127216) is [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium.
What is the SMILES notation for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The canonical SMILES for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium is Fc1cc(F)c2n[nH]c([NH2+]c3nc(-c4ccccc4C4CC4)nc4ccccc34)c2c1.
What is the InChIKey of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
The InChIKey is ZFIFDZMZWLCECJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H17F2N5/c25-14-11-18-21(19(26)12-14)30-31-24(18)29-23-17-7-3-4-8-20(17)27-22(28-23)16-6-2-1-5-15(16)13-9-10-13/h1-8,11-13H,9-10H2,(H2,27,28,29,30,31)/p+1.
What are the key properties of [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium?
[2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium has a molecular weight of 414.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-cyclopropylphenyl)quinazolin-4-yl]-(5,7-difluoro-2H-indazol-3-yl)azanium is sourced from PubChem (CID 142127216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).