2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

C28H26N4O — CID 4025678

IUPAC2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccc3ccccc23)C2=C1CC(c1ccccc1)CC2=O
InChIInChI=1S/C28H26N4O/c1-31(2)32-24-15-20(18-9-4-3-5-10-18)16-25(33)27(24)26(23(17-29)28(32)30)22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,26H,15-16,30H2,1-2H3
InChIKeyBRDWSRHFGGHGAV-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.81
Rot. Bonds3

About 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile

2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 4025678) has the molecular formula C28H26N4O and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID4025678
Molecular FormulaC28H26N4O
Molecular Weight434.54 g/mol
Exact Mass434.21
IUPAC Name2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESCN(C)N1C(N)=C(C#N)C(c2cccc3ccccc23)C2=C1CC(c1ccccc1)CC2=O
InChIInChI=1S/C28H26N4O/c1-31(2)32-24-15-20(18-9-4-3-5-10-18)16-25(33)27(24)26(23(17-29)28(32)30)22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,26H,15-16,30H2,1-2H3
InChIKeyBRDWSRHFGGHGAV-UHFFFAOYSA-N
XLogP4.81
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 4025678) is 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is CN(C)N1C(N)=C(C#N)C(c2cccc3ccccc23)C2=C1CC(c1ccccc1)CC2=O.
What is the InChIKey of 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is BRDWSRHFGGHGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O/c1-31(2)32-24-15-20(18-9-4-3-5-10-18)16-25(33)27(24)26(23(17-29)28(32)30)22-14-8-12-19-11-6-7-13-21(19)22/h3-14,20,26H,15-16,30H2,1-2H3.
What are the key properties of 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile?
2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 434.54 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(dimethylamino)-4-naphthalen-1-yl-5-oxo-7-phenyl-4,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 4025678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).