2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile

C20H12FN3 — CID 16680531

IUPAC2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(ccc3ccccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C20H12FN3/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-10H,(H2,23,24)
InChIKeyJAPXFPNMRQJDTI-UHFFFAOYSA-N
MW313.34 g/mol
LogP4.65
Rot. Bonds1

About 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile

2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile (PubChem CID 16680531) has the molecular formula C20H12FN3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile
PubChem CID16680531
Molecular FormulaC20H12FN3
Molecular Weight313.34 g/mol
Exact Mass313.10
IUPAC Name2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(ccc3ccccc32)c1-c1ccc(F)cc1
InChIInChI=1S/C20H12FN3/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-10H,(H2,23,24)
InChIKeyJAPXFPNMRQJDTI-UHFFFAOYSA-N
XLogP4.65
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

3-Fluoro-5-(2-methylquinolin-7-yl)benzonitrile
CID 23661671
6-Aminophenanthridine
CID 160547
7-[[2-(3-Fluorophenyl)ethylamino]methyl]quinolin-2-Amine
CID 72771077
7-{2-[(3-Fluorobenzyl)amino]ethyl}quinolin-2-Amine
CID 72771078
7-[2-[3-(3-Fluorophenyl)propylamino]ethyl]quinolin-2-Amine
CID 72771079
7-({[3-(3-Fluorophenyl)propyl]amino}methyl)quinolin-2-Amine
CID 72771080
7-[2-[2-(3-Fluorophenyl)ethylamino]ethyl]quinolin-2-Amine
CID 72771082
7-{[(3-Fluorophenyl)amino]methyl}quinolin-2-Amine
CID 118266141
5-[[3-(Aminomethyl)phenyl]methyl]-3-Pentyl-Quinolin-2-Amine
CID 121231447
4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250394
4-(2-{[(2-Aminoquinolin-7-Yl)methyl]amino}ethyl)-2-Methylbenzonitrile
CID 121250396
4-(2-{[(2-Amino-4-Methylquinolin-7-Yl)methyl]amino}ethyl)benzonitrile
CID 121250401

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile (CID 16680531) is 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile is N#Cc1c(N)nc2c(ccc3ccccc32)c1-c1ccc(F)cc1.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile?
The InChIKey is JAPXFPNMRQJDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12FN3/c21-14-8-5-13(6-9-14)18-16-10-7-12-3-1-2-4-15(12)19(16)24-20(23)17(18)11-22/h1-10H,(H2,23,24).
What are the key properties of 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile?
2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile has a molecular weight of 313.34 g/mol, XLogP of 4.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)benzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 16680531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).