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

C27H26N6O — CID 164628175

IUPAC4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3nc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-32-12-14-33(15-13-32)27(34)21-4-7-24-20(17-21)3-5-22(31-24)8-10-29-26-9-11-30-25-6-2-19(18-28)16-23(25)26/h2-7,9,11,16-17H,8,10,12-15H2,1H3,(H,29,30)
InChIKeyMVHLSMVDLNDGHO-UHFFFAOYSA-N
MW450.55 g/mol
LogP3.70
Rot. Bonds5

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

4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile (PubChem CID 164628175) has the molecular formula C27H26N6O and a molecular weight of 450.55 g/mol. Its IUPAC name is 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile
PubChem CID164628175
Molecular FormulaC27H26N6O
Molecular Weight450.55 g/mol
Exact Mass450.22
IUPAC Name4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile
SMILESCN1CCN(C(=O)c2ccc3nc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1
InChIInChI=1S/C27H26N6O/c1-32-12-14-33(15-13-32)27(34)21-4-7-24-20(17-21)3-5-22(31-24)8-10-29-26-9-11-30-25-6-2-19(18-28)16-23(25)26/h2-7,9,11,16-17H,8,10,12-15H2,1H3,(H,29,30)
InChIKeyMVHLSMVDLNDGHO-UHFFFAOYSA-N
XLogP3.70
TPSA85.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-amino-N-(3-(dimethylamino)propyl)acridine-4-carboxamide
CID 150238
((2R,4S)-2-Benzyl-4-((quinolin-4-ylmethyl)amino)piperidin-1-yl)(3,5-dimethylphenyl)methanone
CID 9869033
3-(4-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)butyl)-1H-indole-5-carbonitrile
CID 118190855
3-(3-(4-(4-(5-oxo-1,6-naphthyridin-6(5H)-yl)phenyl)piperazin-1-yl)propyl)-1H-indole-5-carbonitrile
CID 118191039
SN 6999
CID 149449
Quinolinium dibromide
CID 162087
N-((4-dimethylamino)butyl)-9-aminoacridine-4-carboxamide
CID 124660
1-Methyl-4-{[4-({4-[(1-methylpyridinium-4-yl)amino]phenyl}carbamoyl)phenyl]amino}quinolinium
CID 128904
9-Amino-N-(2-(dimethylamino)ethyl)-4-acridinecarboxamide
CID 128962
Dihydropyrrolopyrazole, 9
CID 10203646
2-N,6-N-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
CID 11430774
XR-9577
CID 15950351

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile?
The IUPAC name of 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile (CID 164628175) is 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile?
The canonical SMILES for 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile is CN1CCN(C(=O)c2ccc3nc(CCNc4ccnc5ccc(C#N)cc45)ccc3c2)CC1.
What is the InChIKey of 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile?
The InChIKey is MVHLSMVDLNDGHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O/c1-32-12-14-33(15-13-32)27(34)21-4-7-24-20(17-21)3-5-22(31-24)8-10-29-26-9-11-30-25-6-2-19(18-28)16-23(25)26/h2-7,9,11,16-17H,8,10,12-15H2,1H3,(H,29,30).
What are the key properties of 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile?
4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile has a molecular weight of 450.55 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-methylpiperazine-1-carbonyl)quinolin-2-yl]ethylamino]quinoline-6-carbonitrile is sourced from PubChem (CID 164628175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).