(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride

C17H24Cl3N5 — CID 166485583

IUPAC(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)C1
InChIInChI=1S/C17H22ClN5.2ClH/c18-15-10-12-9-14(23-6-3-13(19)11-23)1-2-16(12)21-17(15)22-7-4-20-5-8-22;;/h1-2,9-10,13,20H,3-8,11,19H2;2*1H/t13-;;/m1../s1
InChIKeySPRIBYCIBPGKHL-FFXKMJQXSA-N
MW404.77 g/mol
LogP2.68
Rot. Bonds2

About (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride

(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride (PubChem CID 166485583) has the molecular formula C17H24Cl3N5 and a molecular weight of 404.77 g/mol. Its IUPAC name is (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride.

Molecular Properties

Compound Name(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
PubChem CID166485583
Molecular FormulaC17H24Cl3N5
Molecular Weight404.77 g/mol
Exact Mass403.11
IUPAC Name(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride
SMILESCl.Cl.N[C@@H]1CCN(c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)C1
InChIInChI=1S/C17H22ClN5.2ClH/c18-15-10-12-9-14(23-6-3-13(19)11-23)1-2-16(12)21-17(15)22-7-4-20-5-8-22;;/h1-2,9-10,13,20H,3-8,11,19H2;2*1H/t13-;;/m1../s1
InChIKeySPRIBYCIBPGKHL-FFXKMJQXSA-N
XLogP2.68
TPSA57.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.77
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-yl]methanamine;dihydrochloride
CID 171851681
3-chloro-2-piperazin-1-yl-6-piperidin-1-ylquinoline
CID 166485216
3-chloro-2-piperazin-1-yl-N-piperidin-4-ylquinolin-6-amine;dihydrochloride
CID 166485276
3-chloro-2-piperazin-1-yl-N-[(3S)-piperidin-3-yl]quinolin-6-amine
CID 166485264
N'-(3-chloro-2-piperazin-1-ylquinolin-6-yl)butane-1,4-diamine
CID 166485360
[2-(3-chloro-2-piperazin-1-ylquinolin-6-yl)phenyl]methanamine
CID 166485251
[5-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-1,3,4-oxadiazol-2-yl]methanamine
CID 166485547
[3-(3-chloro-2-piperazin-1-ylquinolin-6-yl)-2-methylphenyl]methanamine;dihydrochloride
CID 166485443
(3S)-1-(3,4-dichlorophenyl)piperidin-3-amine
CID 82038542
1-(3,4-dichlorophenyl)piperidin-3-amine
CID 62537230
3-chloro-2-piperazin-1-yl-6-(1,2,3,4-tetrahydroisoquinolin-5-yl)quinoline;dihydrochloride
CID 166485514
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride?
The IUPAC name of (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride (CID 166485583) is (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride.
What is the SMILES notation for (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride?
The canonical SMILES for (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride is Cl.Cl.N[C@@H]1CCN(c2ccc3nc(N4CCNCC4)c(Cl)cc3c2)C1.
What is the InChIKey of (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride?
The InChIKey is SPRIBYCIBPGKHL-FFXKMJQXSA-N. The full InChI is InChI=1S/C17H22ClN5.2ClH/c18-15-10-12-9-14(23-6-3-13(19)11-23)1-2-16(12)21-17(15)22-7-4-20-5-8-22;;/h1-2,9-10,13,20H,3-8,11,19H2;2*1H/t13-;;/m1../s1.
What are the key properties of (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride?
(3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride has a molecular weight of 404.77 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloro-2-piperazin-1-ylquinolin-6-yl)pyrrolidin-3-amine;dihydrochloride is sourced from PubChem (CID 166485583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).