2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

C26H26Cl2N4 — CID 11698389

IUPAC2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H26Cl2N4/c1-17-4-3-12-31(17)13-11-19-5-9-25-20(14-19)6-10-26(30-25)22-16-29-32(18(22)2)21-7-8-23(27)24(28)15-21/h5-10,14-17H,3-4,11-13H2,1-2H3/t17-/m1/s1
InChIKeyPPHJOGOEUDGEOR-QGZVFWFLSA-N
MW465.43 g/mol
LogP6.73
Rot. Bonds5

About 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline

2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (PubChem CID 11698389) has the molecular formula C26H26Cl2N4 and a molecular weight of 465.43 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
PubChem CID11698389
Molecular FormulaC26H26Cl2N4
Molecular Weight465.43 g/mol
Exact Mass464.15
IUPAC Name2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline
SMILESCc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H26Cl2N4/c1-17-4-3-12-31(17)13-11-19-5-9-25-20(14-19)6-10-26(30-25)22-16-29-32(18(22)2)21-7-8-23(27)24(28)15-21/h5-10,14-17H,3-4,11-13H2,1-2H3/t17-/m1/s1
InChIKeyPPHJOGOEUDGEOR-QGZVFWFLSA-N
XLogP6.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline 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

(R)-2-(1,5-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 10019811
(R)-2-(5-chloro-1-methyl-3-phenyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11618861
(R)-2-(1,3-dimethyl-1H-pyrazol-4-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 16059780
N-(3,4-dichlorophenyl)-1-(1-methylindazol-5-yl)methanimine
CID 77844772
7-chloro-N-[2-methyl-5-phenyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 16718999
7-chloro-4-(2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)quinoline
CID 21992575
3-[4-(4-Chloro-phenyl)-piperazin-1-ylmethyl]-pyrazolo[1,5-a]quinoline
CID 44264629
7-chloro-N-[5-(4-chlorophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]quinolin-4-amine
CID 44568687
7-chloro-N-[5-(4-chlorophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 44568688
7-chloro-N-[2-methyl-5-(4-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]quinolin-4-amine
CID 46937458
N-[5-(4-aminophenyl)-3-(diethylaminomethyl)-2-methylpyrrol-1-yl]-7-chloroquinolin-4-amine
CID 49866284
N-[5-(4-aminophenyl)-2-methyl-3-(pyrrolidin-1-ylmethyl)pyrrol-1-yl]-7-chloroquinolin-4-amine
CID 49866285

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline (CID 11698389) is 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is Cc1c(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)cnn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
The InChIKey is PPHJOGOEUDGEOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H26Cl2N4/c1-17-4-3-12-31(17)13-11-19-5-9-25-20(14-19)6-10-26(30-25)22-16-29-32(18(22)2)21-7-8-23(27)24(28)15-21/h5-10,14-17H,3-4,11-13H2,1-2H3/t17-/m1/s1.
What are the key properties of 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline?
2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline has a molecular weight of 465.43 g/mol, XLogP of 6.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]-6-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]quinoline is sourced from PubChem (CID 11698389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).