4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

C28H27N5O — CID 146403432

IUPAC4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C28H27N5O/c1-32-12-14-33(15-13-32)28(34)24-6-5-22-16-20(2-4-23(22)18-24)8-10-30-27-9-11-31-26-7-3-21(19-29)17-25(26)27/h2-7,9,11,16-18H,8,10,12-15H2,1H3,(H,30,31)
InChIKeyAFUHWZUYZJGVKM-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.30
Rot. Bonds5

About 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile

4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (PubChem CID 146403432) has the molecular formula C28H27N5O and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
PubChem CID146403432
Molecular FormulaC28H27N5O
Molecular Weight449.56 g/mol
Exact Mass449.22
IUPAC Name4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C28H27N5O/c1-32-12-14-33(15-13-32)28(34)24-6-5-22-16-20(2-4-23(22)18-24)8-10-30-27-9-11-31-26-7-3-21(19-29)17-25(26)27/h2-7,9,11,16-18H,8,10,12-15H2,1H3,(H,30,31)
InChIKeyAFUHWZUYZJGVKM-UHFFFAOYSA-N
XLogP4.30
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 71661259
CID 71661259
CID 9869033
CID 9869033
CID 91623361
CID 91623361
CID 118190855
CID 118190855
CID 118191039
CID 118191039
CID 1860395
CID 1860395
CID 149449
CID 149449
CID 162087
CID 162087
CID 128904
CID 128904
CID 4298023
CID 4298023
CID 4375060
CID 4375060
CID 11619076
CID 11619076

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile (CID 146403432) is 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is CN1CCN(C(=O)c2ccc3cc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1.
What is the InChIKey of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
The InChIKey is AFUHWZUYZJGVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O/c1-32-12-14-33(15-13-32)28(34)24-6-5-22-16-20(2-4-23(22)18-24)8-10-30-27-9-11-31-26-7-3-21(19-29)17-25(26)27/h2-7,9,11,16-18H,8,10,12-15H2,1H3,(H,30,31).
What are the key properties of 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile?
4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile has a molecular weight of 449.56 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-methylpiperazine-1-carbonyl)naphthalen-2-yl]ethylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 146403432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).