2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C20H14FN3 — CID 10470960

IUPAC2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1F)CCc1ccccc1-2
InChIInChI=1S/C20H14FN3/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-8H,9-10H2,(H2,23,24)
InChIKeyKWDGEGKAKJNIRC-UHFFFAOYSA-N
MW315.35 g/mol
LogP4.11
Rot. Bonds1

About 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 10470960) has the molecular formula C20H14FN3 and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID10470960
Molecular FormulaC20H14FN3
Molecular Weight315.35 g/mol
Exact Mass315.12
IUPAC Name2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1F)CCc1ccccc1-2
InChIInChI=1S/C20H14FN3/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-8H,9-10H2,(H2,23,24)
InChIKeyKWDGEGKAKJNIRC-UHFFFAOYSA-N
XLogP4.11
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 10470960) is 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1F)CCc1ccccc1-2.
What is the InChIKey of 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is KWDGEGKAKJNIRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN3/c21-17-8-4-3-7-14(17)18-15-10-9-12-5-1-2-6-13(12)19(15)24-20(23)16(18)11-22/h1-8H,9-10H2,(H2,23,24).
What are the key properties of 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 315.35 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 10470960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).