2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C16H14BrN3 — CID 1215304

IUPAC2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCC2
InChIInChI=1S/C16H14BrN3/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8H,1-4H2,(H2,19,20)
InChIKeyUTVTWZOGZWGMNR-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.84
Rot. Bonds1

About 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 1215304) has the molecular formula C16H14BrN3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID1215304
Molecular FormulaC16H14BrN3
Molecular Weight328.21 g/mol
Exact Mass327.04
IUPAC Name2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCC2
InChIInChI=1S/C16H14BrN3/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8H,1-4H2,(H2,19,20)
InChIKeyUTVTWZOGZWGMNR-UHFFFAOYSA-N
XLogP3.84
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 1215304) is 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCC2.
What is the InChIKey of 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is UTVTWZOGZWGMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrN3/c17-11-7-5-10(6-8-11)15-12-3-1-2-4-14(12)20-16(19)13(15)9-18/h5-8H,1-4H2,(H2,19,20).
What are the key properties of 2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(4-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 328.21 g/mol, XLogP of 3.84, 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-bromophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 1215304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).