4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine

C34H48N6 — CID 156728179

IUPAC4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine
SMILESCCN1CCC(N2CCN(C3CCN(c4c(N(C)c5ccc(C)cc5)cnc5ccc(C)cc45)CC3)CC2)CC1
InChIInChI=1S/C34H48N6/c1-5-37-16-12-29(13-17-37)38-20-22-39(23-21-38)30-14-18-40(19-15-30)34-31-24-27(3)8-11-32(31)35-25-33(34)36(4)28-9-6-26(2)7-10-28/h6-11,24-25,29-30H,5,12-23H2,1-4H3
InChIKeyPZPVZCXLRVALIA-UHFFFAOYSA-N
MW540.80 g/mol
LogP5.69
Rot. Bonds6

About 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine

4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine (PubChem CID 156728179) has the molecular formula C34H48N6 and a molecular weight of 540.80 g/mol. Its IUPAC name is 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine.

Molecular Properties

Compound Name4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine
PubChem CID156728179
Molecular FormulaC34H48N6
Molecular Weight540.80 g/mol
Exact Mass540.39
IUPAC Name4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine
SMILESCCN1CCC(N2CCN(C3CCN(c4c(N(C)c5ccc(C)cc5)cnc5ccc(C)cc45)CC3)CC2)CC1
InChIInChI=1S/C34H48N6/c1-5-37-16-12-29(13-17-37)38-20-22-39(23-21-38)30-14-18-40(19-15-30)34-31-24-27(3)8-11-32(31)35-25-33(34)36(4)28-9-6-26(2)7-10-28/h6-11,24-25,29-30H,5,12-23H2,1-4H3
InChIKeyPZPVZCXLRVALIA-UHFFFAOYSA-N
XLogP5.69
TPSA29.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.80
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine?
The IUPAC name of 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine (CID 156728179) is 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine.
What is the SMILES notation for 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine?
The canonical SMILES for 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine is CCN1CCC(N2CCN(C3CCN(c4c(N(C)c5ccc(C)cc5)cnc5ccc(C)cc45)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine?
The InChIKey is PZPVZCXLRVALIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48N6/c1-5-37-16-12-29(13-17-37)38-20-22-39(23-21-38)30-14-18-40(19-15-30)34-31-24-27(3)8-11-32(31)35-25-33(34)36(4)28-9-6-26(2)7-10-28/h6-11,24-25,29-30H,5,12-23H2,1-4H3.
What are the key properties of 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine?
4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine has a molecular weight of 540.80 g/mol, XLogP of 5.69, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[4-(1-ethylpiperidin-4-yl)piperazin-1-yl]piperidin-1-yl]-N,6-dimethyl-N-(4-methylphenyl)quinolin-3-amine is sourced from PubChem (CID 156728179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).