2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone

C26H28Cl2N4O — CID 59764758

IUPAC2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CNc1ccnc2cc(Cl)c(Cl)cc12)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C26H28Cl2N4O/c27-22-14-21-24(6-10-29-25(21)15-23(22)28)30-16-26(33)32-13-9-20(17-32)31-11-7-19(8-12-31)18-4-2-1-3-5-18/h1-6,10,14-15,19-20H,7-9,11-13,16-17H2,(H,29,30)
InChIKeyJICLHNQSKMXQPY-UHFFFAOYSA-N
MW483.44 g/mol
LogP5.43
Rot. Bonds5

About 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone

2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone (PubChem CID 59764758) has the molecular formula C26H28Cl2N4O and a molecular weight of 483.44 g/mol. Its IUPAC name is 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone
PubChem CID59764758
Molecular FormulaC26H28Cl2N4O
Molecular Weight483.44 g/mol
Exact Mass482.16
IUPAC Name2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(CNc1ccnc2cc(Cl)c(Cl)cc12)N1CCC(N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C26H28Cl2N4O/c27-22-14-21-24(6-10-29-25(21)15-23(22)28)30-16-26(33)32-13-9-20(17-32)31-11-7-19(8-12-31)18-4-2-1-3-5-18/h1-6,10,14-15,19-20H,7-9,11-13,16-17H2,(H,29,30)
InChIKeyJICLHNQSKMXQPY-UHFFFAOYSA-N
XLogP5.43
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone with MolForge

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Related Compounds

N-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-7-chloro-quinolin-4-amine
CID 11995820
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloro-quinolin-4-amine
CID 46929448
7-chloro-N-[3-[4-(2,2-diphenylethyl)piperazin-1-yl]propyl]quinolin-4-amine
CID 46929560
(E)-3-(3,4-dichlorophenyl)-1-[4-[2-[4-(1H-indol-3-yl)piperidin-1-yl]ethyl]piperidin-1-yl]prop-2-en-1-one
CID 9849217
N-[3-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl]piperazin-1-yl]propyl]-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 11454530
N-(7-Chloro-4-quinolyl)-N'-(3-diethylaminopropanoyl)-1,2-diaminoethane
CID 24828279
7-chloro-N-[(4-chlorophenyl)-[4-(piperazin-1-ylmethyl)phenyl]methyl]quinolin-4-amine
CID 25003794
4-Quinolinamine,7-chloro-N-[(3-chlorophenyl)[4-(1-pyrrolidinylmethyl)phenyl]methyl]-
CID 25004141
(E)-N-(5-(4-(1H-indol-3-yl)piperidin-1-yl)pentyl)-3-(3,4-dichlorophenyl)acrylamide
CID 44296087
Quinoline-4-carboxylic acid [1''-(3,4-dichloro-benzyl)-[1,4'']bipiperidinyl-3-ylmethyl]-amide
CID 44399567
1-(3,4-Dichlorophenyl)-3-[4-(4-methylpiperazin-1-yl)quinolin-6-yl]urea
CID 44533444
7-chloro-N-[3-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 46929449

Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone (CID 59764758) is 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone is O=C(CNc1ccnc2cc(Cl)c(Cl)cc12)N1CCC(N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is JICLHNQSKMXQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N4O/c27-22-14-21-24(6-10-29-25(21)15-23(22)28)30-16-26(33)32-13-9-20(17-32)31-11-7-19(8-12-31)18-4-2-1-3-5-18/h1-6,10,14-15,19-20H,7-9,11-13,16-17H2,(H,29,30).
What are the key properties of 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone?
2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 483.44 g/mol, XLogP of 5.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6,7-dichloroquinolin-4-yl)amino]-1-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 59764758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).