N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide

C23H34N4O3 — CID 124760477

IUPACN-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H34N4O3/c1-23(2,3)30-17-18(28)16-27-14-12-26(13-15-27)11-10-25-22(29)20-8-9-24-21-7-5-4-6-19(20)21/h4-9,18,28H,10-17H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyMLFCSTWGWZVLFW-SFHVURJKSA-N
MW414.55 g/mol
LogP1.76
Rot. Bonds8

About N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide

N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide (PubChem CID 124760477) has the molecular formula C23H34N4O3 and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
PubChem CID124760477
Molecular FormulaC23H34N4O3
Molecular Weight414.55 g/mol
Exact Mass414.26
IUPAC NameN-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
SMILESCC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccnc3ccccc23)CC1
InChIInChI=1S/C23H34N4O3/c1-23(2,3)30-17-18(28)16-27-14-12-26(13-15-27)11-10-25-22(29)20-8-9-24-21-7-5-4-6-19(20)21/h4-9,18,28H,10-17H2,1-3H3,(H,25,29)/t18-/m0/s1
InChIKeyMLFCSTWGWZVLFW-SFHVURJKSA-N
XLogP1.76
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide with MolForge

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Related Compounds

2,4-dichloro-N-[2-[4-[(2R)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]benzamide
CID 124851587
2-ethoxy-N-[2-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-1-carboxamide
CID 91812891
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]naphthalene-2-carboxamide
CID 124761014
2-fluoro-N-[2-[4-[(2R)-2-hydroxybutyl]piperazin-1-yl]ethyl]benzamide
CID 111488179
N-[2-hydroxy-3-(2-methylpropoxy)propyl]quinoline-4-carboxamide
CID 111697647
N-(3-chloro-4-methoxybutyl)quinoline-4-carboxamide
CID 106244397
4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-N-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 124852194
N-(3-iodopropyl)quinoline-4-carboxamide
CID 114504474
N-[3-(cyclopropylmethoxy)-2-hydroxypropyl]quinoline-4-carboxamide
CID 111697774
N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107318423
1-(4-benzylidenepiperidin-1-yl)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111799527
tert-butyl 4-[2-[(2-chloropyridine-3-carbonyl)amino]ethyl]piperazine-1-carboxylate
CID 138585805

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The IUPAC name of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide (CID 124760477) is N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide.
What is the SMILES notation for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The canonical SMILES for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide is CC(C)(C)OC[C@@H](O)CN1CCN(CCNC(=O)c2ccnc3ccccc23)CC1.
What is the InChIKey of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
The InChIKey is MLFCSTWGWZVLFW-SFHVURJKSA-N. The full InChI is InChI=1S/C23H34N4O3/c1-23(2,3)30-17-18(28)16-27-14-12-26(13-15-27)11-10-25-22(29)20-8-9-24-21-7-5-4-6-19(20)21/h4-9,18,28H,10-17H2,1-3H3,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide?
N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 124760477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).