6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile

C24H28N6O — CID 44586518

IUPAC6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile
SMILESCc1cc2c(Nc3ccccn3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H28N6O/c1-18-14-20-21(15-22(18)31-13-5-8-30-11-9-29(2)10-12-30)27-17-19(16-25)24(20)28-23-6-3-4-7-26-23/h3-4,6-7,14-15,17H,5,8-13H2,1-2H3,(H,26,27,28)
InChIKeyMSMXNTQZGDNYDB-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.57
Rot. Bonds7

About 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile

6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile (PubChem CID 44586518) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile
PubChem CID44586518
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile
SMILESCc1cc2c(Nc3ccccn3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1
InChIInChI=1S/C24H28N6O/c1-18-14-20-21(15-22(18)31-13-5-8-30-11-9-29(2)10-12-30)27-17-19(16-25)24(20)28-23-6-3-4-7-26-23/h3-4,6-7,14-15,17H,5,8-13H2,1-2H3,(H,26,27,28)
InChIKeyMSMXNTQZGDNYDB-UHFFFAOYSA-N
XLogP3.57
TPSA77.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-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

4-(4-chloro-5-methoxy-2-methylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 118680025
ethane;4-(5-ethoxy-2,4-dimethylanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile;methane;propane
CID 144983344
4-(4-amino-3,5-diiodoanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 72700331
4-[(3-chloro-6-methoxy-2-pyridinyl)amino]-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile
CID 10323578
4-(1,3-benzothiazol-2-ylamino)-6-methoxy-7-[2-(4-methylpiperazin-1-yl)ethoxy]quinoline-3-carbonitrile
CID 44586614
2-methyl-3-[3-(4-methylpiperazin-1-yl)propoxy]-11H-indolo[3,2-c]quinoline-9-carbonitrile
CID 157092292
6-methoxy-4-methyl-7-(3-pyrrolidin-1-ylpropoxy)quinoline-3-carbonitrile
CID 69171695
6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-[[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]amino]quinoline-3-carbonitrile
CID 78426101
7-[3-(4-aminopiperazin-1-yl)propoxy]-4-(2,4-dichloro-5-methoxyanilino)-6-methoxyquinoline-3-carbonitrile
CID 154688469
N-[4-[[3-cyano-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]amino]phenyl]benzenesulfonamide
CID 59095490
7-[3-[4-(hydroxymethyl)piperidin-1-yl]propoxy]-6-methoxy-4-[4-(2-methoxyphenoxy)anilino]quinoline-3-carbonitrile
CID 21035063
6-methoxy-4-methyl-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile
CID 149186313

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile?
The IUPAC name of 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile (CID 44586518) is 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile.
What is the SMILES notation for 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile?
The canonical SMILES for 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile is Cc1cc2c(Nc3ccccn3)c(C#N)cnc2cc1OCCCN1CCN(C)CC1.
What is the InChIKey of 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile?
The InChIKey is MSMXNTQZGDNYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-18-14-20-21(15-22(18)31-13-5-8-30-11-9-29(2)10-12-30)27-17-19(16-25)24(20)28-23-6-3-4-7-26-23/h3-4,6-7,14-15,17H,5,8-13H2,1-2H3,(H,26,27,28).
What are the key properties of 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile?
6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile has a molecular weight of 416.53 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[3-(4-methylpiperazin-1-yl)propoxy]-4-(pyridin-2-ylamino)quinoline-3-carbonitrile is sourced from PubChem (CID 44586518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).