2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

C20H15N3 — CID 856268

IUPAC2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C20H15N3/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-9H,10-11H2,(H2,22,23)
InChIKeyQLRABALSHCEMPD-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.97
Rot. Bonds1

About 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile

2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (PubChem CID 856268) has the molecular formula C20H15N3 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
PubChem CID856268
Molecular FormulaC20H15N3
Molecular Weight297.36 g/mol
Exact Mass297.13
IUPAC Name2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C20H15N3/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-9H,10-11H2,(H2,22,23)
InChIKeyQLRABALSHCEMPD-UHFFFAOYSA-N
XLogP3.97
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile (CID 856268) is 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccccc1)CCc1ccccc1-2.
What is the InChIKey of 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
The InChIKey is QLRABALSHCEMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3/c21-12-17-18(14-7-2-1-3-8-14)16-11-10-13-6-4-5-9-15(13)19(16)23-20(17)22/h1-9H,10-11H2,(H2,22,23).
What are the key properties of 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile?
2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile has a molecular weight of 297.36 g/mol, XLogP of 3.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile is sourced from PubChem (CID 856268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).