N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine

C25H32N4O — CID 166381379

IUPACN-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCCN3CCN(C)CC3c3ccccc3)ccnc12
InChIInChI=1S/C25H32N4O/c1-3-18-30-24-11-7-10-21-22(12-13-27-25(21)24)26-14-15-29-17-16-28(2)19-23(29)20-8-5-4-6-9-20/h4-13,23H,3,14-19H2,1-2H3,(H,26,27)
InChIKeyJYZZJNWTWOGRSC-UHFFFAOYSA-N
MW404.56 g/mol
LogP4.42
Rot. Bonds8

About N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine

N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine (PubChem CID 166381379) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine.

Molecular Properties

Compound NameN-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine
PubChem CID166381379
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC NameN-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine
SMILESCCCOc1cccc2c(NCCN3CCN(C)CC3c3ccccc3)ccnc12
InChIInChI=1S/C25H32N4O/c1-3-18-30-24-11-7-10-21-22(12-13-27-25(21)24)26-14-15-29-17-16-28(2)19-23(29)20-8-5-4-6-9-20/h4-13,23H,3,14-19H2,1-2H3,(H,26,27)
InChIKeyJYZZJNWTWOGRSC-UHFFFAOYSA-N
XLogP4.42
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-bromo-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 166321865
3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122048150
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-8-propoxyquinolin-4-amine
CID 131963511
N-ethyl-8-propoxyquinolin-5-amine
CID 82264799
(2R)-1-[(4-methoxy-2-pyridinyl)methyl]-4-methyl-2-phenylpiperazine
CID 124742417
N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-2,4-dinitroaniline
CID 42956517
7-methoxy-2-methyl-N-[3-(4-methyl-2-phenylpiperazin-1-yl)propyl]quinolin-4-amine
CID 166381409
2-methyl-2-[(4-methyl-2-phenylpiperazin-1-yl)methyl]butan-1-amine
CID 62263763
(6R)-6-methyl-4-(8-propoxyquinolin-4-yl)-1,4-thiazepane 1,1-dioxide
CID 124627758
3-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 52521593
3-[(2S)-4-methyl-2-phenylpiperazin-1-yl]-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 100841780
4-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpiperazine-1-carboxamide
CID 60547515

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine?
The IUPAC name of N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine (CID 166381379) is N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine.
What is the SMILES notation for N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine?
The canonical SMILES for N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine is CCCOc1cccc2c(NCCN3CCN(C)CC3c3ccccc3)ccnc12.
What is the InChIKey of N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine?
The InChIKey is JYZZJNWTWOGRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-3-18-30-24-11-7-10-21-22(12-13-27-25(21)24)26-14-15-29-17-16-28(2)19-23(29)20-8-5-4-6-9-20/h4-13,23H,3,14-19H2,1-2H3,(H,26,27).
What are the key properties of N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine?
N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine has a molecular weight of 404.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-phenylpiperazin-1-yl)ethyl]-8-propoxyquinolin-4-amine is sourced from PubChem (CID 166381379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).