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

C22H18BrN3 — CID 3285279

IUPAC2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H18BrN3/c23-17-8-4-7-16(11-17)21-18-12-15(14-5-2-1-3-6-14)9-10-20(18)26-22(25)19(21)13-24/h1-8,11,15H,9-10,12H2,(H2,25,26)
InChIKeyDKBSECCYCDKHGY-UHFFFAOYSA-N
MW404.31 g/mol
LogP5.24
Rot. Bonds2

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

2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3285279) has the molecular formula C22H18BrN3 and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3285279
Molecular FormulaC22H18BrN3
Molecular Weight404.31 g/mol
Exact Mass403.07
IUPAC Name2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H18BrN3/c23-17-8-4-7-16(11-17)21-18-12-15(14-5-2-1-3-6-14)9-10-20(18)26-22(25)19(21)13-24/h1-8,11,15H,9-10,12H2,(H2,25,26)
InChIKeyDKBSECCYCDKHGY-UHFFFAOYSA-N
XLogP5.24
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.31
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3291010
2-amino-6-phenyl-4-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3290835
2-amino-4-(2-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3293332
(6R)-2-amino-4-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95542957
2-amino-4-(3-bromo-4-fluorophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3253007
2-amino-4-(3-hydroxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 82119478
2-amino-4-(3-fluorophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4528748
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
CID 95402496
2-amino-4-(4-cyanophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 5192069
2,6-diamino-4-(2,1,3-benzothiadiazol-5-yl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 56861076
2-amino-4-(3,4-dimethoxyphenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3116798
(6S)-2-amino-4-(4-fluorophenyl)-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 728885

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3285279) is 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cccc(Br)c1)CC(c1ccccc1)CC2.
What is the InChIKey of 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is DKBSECCYCDKHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrN3/c23-17-8-4-7-16(11-17)21-18-12-15(14-5-2-1-3-6-14)9-10-20(18)26-22(25)19(21)13-24/h1-8,11,15H,9-10,12H2,(H2,25,26).
What are the key properties of 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 404.31 g/mol, XLogP of 5.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3285279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).