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

C22H18N4O2 — CID 3291010

IUPAC2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc([N+](=O)[O-])c1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H18N4O2/c23-13-19-21(16-7-4-8-17(11-16)26(27)28)18-12-15(14-5-2-1-3-6-14)9-10-20(18)25-22(19)24/h1-8,11,15H,9-10,12H2,(H2,24,25)
InChIKeyVYFNIZMCMVUVDI-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.38
Rot. Bonds3

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

2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 3291010) has the molecular formula C22H18N4O2 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID3291010
Molecular FormulaC22H18N4O2
Molecular Weight370.41 g/mol
Exact Mass370.14
IUPAC Name2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1c(N)nc2c(c1-c1cccc([N+](=O)[O-])c1)CC(c1ccccc1)CC2
InChIInChI=1S/C22H18N4O2/c23-13-19-21(16-7-4-8-17(11-16)26(27)28)18-12-15(14-5-2-1-3-6-14)9-10-20(18)25-22(19)24/h1-8,11,15H,9-10,12H2,(H2,24,25)
InChIKeyVYFNIZMCMVUVDI-UHFFFAOYSA-N
XLogP4.38
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-(3-bromophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3285279
2-amino-4-(2-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3293332
2-amino-6-phenyl-4-(4-propoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3290835
2-amino-4-(2-chloro-5-nitrophenyl)-6-ethyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 3255837
2-[3-[(6R)-2-amino-3-cyano-6-methyl-5,6,7,8-tetrahydroquinolin-4-yl]phenoxy]acetamide
CID 95402496
(6R)-2-amino-4-[3-(2-hydroxyethoxy)phenyl]-6-methyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 95542957
2-amino-6-(3-nitrophenyl)-4-pyridin-4-ylpyridine-3-carbonitrile
CID 5254077
2-amino-6-(2-methylphenyl)-4-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5230184
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-amino-4-(3-methoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 4635461
2-amino-4-(3-methylphenyl)-6-(3-nitrophenyl)pyridine-3-carbonitrile
CID 5209576

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 3291010) is 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1c(N)nc2c(c1-c1cccc([N+](=O)[O-])c1)CC(c1ccccc1)CC2.
What is the InChIKey of 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is VYFNIZMCMVUVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2/c23-13-19-21(16-7-4-8-17(11-16)26(27)28)18-12-15(14-5-2-1-3-6-14)9-10-20(18)25-22(19)24/h1-8,11,15H,9-10,12H2,(H2,24,25).
What are the key properties of 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-nitrophenyl)-6-phenyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 3291010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).