N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide

C20H26N4O2 — CID 133486230

IUPACN-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
SMILESC[C@@H](O)CN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O2/c1-14(25)13-23-8-10-24(11-9-23)19-12-17(20(26)21-15-6-7-15)16-4-2-3-5-18(16)22-19/h2-5,12,14-15,25H,6-11,13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyGFUDUGUCYIHFHK-CQSZACIVSA-N
MW354.45 g/mol
LogP1.63
Rot. Bonds5

About N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide

N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide (PubChem CID 133486230) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
PubChem CID133486230
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide
SMILESC[C@@H](O)CN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1
InChIInChI=1S/C20H26N4O2/c1-14(25)13-23-8-10-24(11-9-23)19-12-17(20(26)21-15-6-7-15)16-4-2-3-5-18(16)22-19/h2-5,12,14-15,25H,6-11,13H2,1H3,(H,21,26)/t14-/m1/s1
InChIKeyGFUDUGUCYIHFHK-CQSZACIVSA-N
XLogP1.63
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-N-cyclopropylquinoline-4-carboxamide
CID 112802302
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CID 133281334
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
N-cyclopropyl-2-[3-(phenylcarbamoyl)piperidin-1-yl]quinoline-4-carboxamide
CID 134032376
N-cyclopropyl-2-(2-phenylpyrrolidin-1-yl)quinoline-4-carboxamide
CID 112812673
N-cyclopropyl-2-[2-(2-methylphenyl)morpholin-4-yl]quinoline-4-carboxamide
CID 133354287
cis-(1R,3S)-3-[(2-propan-2-ylquinoline-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120678711
2-[[4-(cyclopropylcarbamoyl)quinolin-2-yl]amino]propanoic acid
CID 122058339
(3aS,6aR)-2-[4-(cyclopropylcarbamoyl)quinolin-2-yl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063399
N-propyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxamide
CID 117089242
N-cyclopropyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanylquinoline-4-carboxamide
CID 17413281
N-cyclopropyl-2-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)sulfanylquinoline-4-carboxamide
CID 17413301

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide (CID 133486230) is N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide is C[C@@H](O)CN1CCN(c2cc(C(=O)NC3CC3)c3ccccc3n2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide?
The InChIKey is GFUDUGUCYIHFHK-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14(25)13-23-8-10-24(11-9-23)19-12-17(20(26)21-15-6-7-15)16-4-2-3-5-18(16)22-19/h2-5,12,14-15,25H,6-11,13H2,1H3,(H,21,26)/t14-/m1/s1.
What are the key properties of N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide?
N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 133486230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).