7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine

C28H37ClN6 — CID 123368292

IUPAC7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine
SMILESCCc1c(N2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc(C)nc1N1CCCC1
InChIInChI=1S/C28H37ClN6/c1-3-23-27(19-21(2)32-28(23)35-13-4-5-14-35)34-17-15-33(16-18-34)12-6-10-30-25-9-11-31-26-20-22(29)7-8-24(25)26/h7-9,11,19-20H,3-6,10,12-18H2,1-2H3,(H,30,31)
InChIKeyOTXXJFWPPBZHTQ-UHFFFAOYSA-N
MW493.10 g/mol
LogP5.38
Rot. Bonds8

About 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine

7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine (PubChem CID 123368292) has the molecular formula C28H37ClN6 and a molecular weight of 493.10 g/mol. Its IUPAC name is 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine
PubChem CID123368292
Molecular FormulaC28H37ClN6
Molecular Weight493.10 g/mol
Exact Mass492.28
IUPAC Name7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine
SMILESCCc1c(N2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc(C)nc1N1CCCC1
InChIInChI=1S/C28H37ClN6/c1-3-23-27(19-21(2)32-28(23)35-13-4-5-14-35)34-17-15-33(16-18-34)12-6-10-30-25-9-11-31-26-20-22(29)7-8-24(25)26/h7-9,11,19-20H,3-6,10,12-18H2,1-2H3,(H,30,31)
InChIKeyOTXXJFWPPBZHTQ-UHFFFAOYSA-N
XLogP5.38
TPSA47.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.10
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[2-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethyl]quinolin-4-amine;7-chloro-N-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]propyl]quinolin-4-amine
CID 159320495
7-chloro-N-(3-piperidin-1-ylpropyl)quinolin-4-amine
CID 10913722
N-[3-(azepan-1-yl)propyl]-7-chloroquinolin-4-amine
CID 132819923
7-chloro-N-[3-(4-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 46241896
N-[3-[4-[3-(butylamino)propyl]piperazin-1-yl]propyl]-7-chloroquinolin-4-amine
CID 11112538
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine
CID 11824896
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
N-(7-chloroquinolin-4-yl)-N'-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)butane-1,4-diamine
CID 70691269
N-[3-(4-benzhydrylpiperazin-1-yl)propyl]-7-chloroquinolin-4-amine
CID 46929448
7-chloro-4-[4-[3-[4-[3-[4-[3-[4-(7-chloroquinolin-4-yl)piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]propyl]piperazin-1-yl]quinoline
CID 11840452
7-chloro-N-(8-piperidin-1-yloctyl)quinolin-4-amine;1,8-dibromooctane
CID 23016541
7-chloro-N-[3-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 46240744

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine?
The IUPAC name of 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine (CID 123368292) is 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine?
The canonical SMILES for 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine is CCc1c(N2CCN(CCCNc3ccnc4cc(Cl)ccc34)CC2)cc(C)nc1N1CCCC1.
What is the InChIKey of 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine?
The InChIKey is OTXXJFWPPBZHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN6/c1-3-23-27(19-21(2)32-28(23)35-13-4-5-14-35)34-17-15-33(16-18-34)12-6-10-30-25-9-11-31-26-20-22(29)7-8-24(25)26/h7-9,11,19-20H,3-6,10,12-18H2,1-2H3,(H,30,31).
What are the key properties of 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine?
7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine has a molecular weight of 493.10 g/mol, XLogP of 5.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[3-[4-(3-ethyl-6-methyl-2-pyrrolidin-1-yl-4-pyridinyl)piperazin-1-yl]propyl]quinolin-4-amine is sourced from PubChem (CID 123368292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).