N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide

C19H26N4O — CID 155975244

IUPACN-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)21-19(24)15(3)22-10-12-23(13-11-22)18-8-9-20-17-7-5-4-6-16(17)18/h4-9,14-15H,10-13H2,1-3H3,(H,21,24)
InChIKeyICSRSVQFIPLSQM-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.27
Rot. Bonds4

About N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide

N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide (PubChem CID 155975244) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
PubChem CID155975244
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide
SMILESCC(C)NC(=O)C(C)N1CCN(c2ccnc3ccccc23)CC1
InChIInChI=1S/C19H26N4O/c1-14(2)21-19(24)15(3)22-10-12-23(13-11-22)18-8-9-20-17-7-5-4-6-16(17)18/h4-9,14-15H,10-13H2,1-3H3,(H,21,24)
InChIKeyICSRSVQFIPLSQM-UHFFFAOYSA-N
XLogP2.27
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 25340776
1-(1-quinolin-4-ylpiperidin-4-yl)ethanone
CID 63845490
2-[4-(3-amino-2-pyridinyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 43462186
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
N-propan-2-yl-2-[4-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperazin-1-yl]propanamide
CID 75371288
2-(4-quinolin-4-ylpiperazin-1-yl)butanenitrile
CID 63343798
1-quinolin-4-ylpiperidin-4-one
CID 22000285
(2S)-N-cyclohexyl-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 94661500
N-cyclopentyl-2-[4-(5-nitroquinolin-8-yl)piperazin-1-yl]propanamide
CID 133287702
2-[4-(4-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpropanamide
CID 46744278
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
2-(4-quinolin-4-ylpiperazin-1-yl)acetonitrile
CID 63337323

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide?
The IUPAC name of N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide (CID 155975244) is N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide.
What is the SMILES notation for N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide?
The canonical SMILES for N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide is CC(C)NC(=O)C(C)N1CCN(c2ccnc3ccccc23)CC1.
What is the InChIKey of N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide?
The InChIKey is ICSRSVQFIPLSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14(2)21-19(24)15(3)22-10-12-23(13-11-22)18-8-9-20-17-7-5-4-6-16(17)18/h4-9,14-15H,10-13H2,1-3H3,(H,21,24).
What are the key properties of N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide?
N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide has a molecular weight of 326.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(4-quinolin-4-ylpiperazin-1-yl)propanamide is sourced from PubChem (CID 155975244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).