2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine

C23H18FN5 — CID 59212894

IUPAC2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESCCc1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1
InChIInChI=1S/C23H18FN5/c1-2-14-7-3-4-8-16(14)21-25-19-10-6-5-9-17(19)22(26-21)27-23-18-13-15(24)11-12-20(18)28-29-23/h3-13H,2H2,1H3,(H2,25,26,27,28,29)
InChIKeyREYIBBDVFVCBBO-UHFFFAOYSA-N
MW383.43 g/mol
LogP5.62
Rot. Bonds4

About 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine

2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (PubChem CID 59212894) has the molecular formula C23H18FN5 and a molecular weight of 383.43 g/mol. Its IUPAC name is 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.

Molecular Properties

Compound Name2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
PubChem CID59212894
Molecular FormulaC23H18FN5
Molecular Weight383.43 g/mol
Exact Mass383.15
IUPAC Name2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine
SMILESCCc1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1
InChIInChI=1S/C23H18FN5/c1-2-14-7-3-4-8-16(14)21-25-19-10-6-5-9-17(19)22(26-21)27-23-18-13-15(24)11-12-20(18)28-29-23/h3-13H,2H2,1H3,(H2,25,26,27,28,29)
InChIKeyREYIBBDVFVCBBO-UHFFFAOYSA-N
XLogP5.62
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.43
LogP ≤ 55.62
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
(8-Fluoro-5-methyl-[1,2,4]triazino[5,6-b]indol-3-yl)hydrazine
CID 6401723
6-(3-Amino-2h-Indazol-6-Yl)-N~4~-Ethylpyrimidine-2,4-Diamine
CID 46214652
6-phenyl-~{N}3-[4-(trifluoromethyl)phenyl]-1~{H}-pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 71549763
N-(5-tert-butyl-1H-pyrazol-3-yl)-8-fluoro-2-[(2R)-2-methylpiperazin-1-yl]quinazolin-4-amine
CID 137552747
N-(5-methyl-1H-pyrazol-3-yl)-2-(naphthalen-2-ylthio)quinazolin-4-amine
CID 10134576
5-Methyl-[1,2,4]triazolo[1,5-c]quinazolin-2-ylamine
CID 607943
5-methyl-N-(2-naphthyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 71594991
8-fluoro-3-hydrazinyl-5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indole
CID 6401717
N-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)ethyl]quinolin-2-amine
CID 138857395

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The IUPAC name of 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine (CID 59212894) is 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine.
What is the SMILES notation for 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The canonical SMILES for 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is CCc1ccccc1-c1nc(Nc2n[nH]c3ccc(F)cc23)c2ccccc2n1.
What is the InChIKey of 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
The InChIKey is REYIBBDVFVCBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5/c1-2-14-7-3-4-8-16(14)21-25-19-10-6-5-9-17(19)22(26-21)27-23-18-13-15(24)11-12-20(18)28-29-23/h3-13H,2H2,1H3,(H2,25,26,27,28,29).
What are the key properties of 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine?
2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine has a molecular weight of 383.43 g/mol, XLogP of 5.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylphenyl)-N-(5-fluoro-1H-indazol-3-yl)quinazolin-4-amine is sourced from PubChem (CID 59212894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).