6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

C22H16FN5 — CID 86766671

IUPAC6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28)
InChIKeyGCIPLOMLMJVRLX-UHFFFAOYSA-N
MW369.40 g/mol
LogP5.24
Rot. Bonds3

About 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine

6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (PubChem CID 86766671) has the molecular formula C22H16FN5 and a molecular weight of 369.40 g/mol. Its IUPAC name is 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.

Molecular Properties

Compound Name6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
PubChem CID86766671
Molecular FormulaC22H16FN5
Molecular Weight369.40 g/mol
Exact Mass369.14
IUPAC Name6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
SMILESNc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1
InChIInChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28)
InChIKeyGCIPLOMLMJVRLX-UHFFFAOYSA-N
XLogP5.24
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.40
LogP ≤ 55.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

Ly-364947
CID 447966
Camizestrant
CID 134453496
Ko-947
CID 136653617
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
3-pyridin-4-yl-1H-indazole
CID 12412578
6-[(6~{S},8~{R})-7-[(1-fluoranylcyclopropyl)methyl]-8-methyl-2,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]-~{N}-[1-(3-fluoranylpropyl)azetidin-3-yl]pyridin-3-amine
CID 134453448
2-Phenyl-2H-pyrazolo[4,3-c]quinoline
CID 11470612
1-[4-fluoranyl-2-(trifluoromethyl)phenyl]-9-(1~{H}-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 51351159
4-(3-methylpyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735206
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(1h-1,2,3-triazol-1-yl)-1h-indazole
CID 135559064
3-[5-(Piperidin-1-ylmethyl)-1h-indol-2-yl]-6-(2h-1,2,3-triazol-2-yl)-1h-indazole
CID 135559067
6-Phenyl-3-[5-(piperidin-1-ylmethyl)-1h-indol-2-yl]-1h-indazole
CID 135559068

Frequently Asked Questions

What is the IUPAC name of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The IUPAC name of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine (CID 86766671) is 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine.
What is the SMILES notation for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The canonical SMILES for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is Nc1ccc(F)c(-c2ccc3nccc(Nc4cccc5[nH]ncc45)c3c2)c1.
What is the InChIKey of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
The InChIKey is GCIPLOMLMJVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16FN5/c23-18-6-5-14(24)11-15(18)13-4-7-19-16(10-13)21(8-9-25-19)27-20-2-1-3-22-17(20)12-26-28-22/h1-12H,24H2,(H,25,27)(H,26,28).
What are the key properties of 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine?
6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine has a molecular weight of 369.40 g/mol, XLogP of 5.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-amino-2-fluorophenyl)-N-(1H-indazol-4-yl)quinolin-4-amine is sourced from PubChem (CID 86766671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).