N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide

C17H22N2O2 — CID 136581170

IUPACN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cccc2cccnc12)C(C)(C)O
InChIInChI=1S/C17H22N2O2/c1-11(2)15(17(3,4)21)19-16(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-11,15,21H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyWKDMHRKBCGAMJO-HNNXBMFYSA-N
MW286.37 g/mol
LogP2.76
Rot. Bonds4

About N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide

N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide (PubChem CID 136581170) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide.

Molecular Properties

Compound NameN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
PubChem CID136581170
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC NameN-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
SMILESCC(C)[C@H](NC(=O)c1cccc2cccnc12)C(C)(C)O
InChIInChI=1S/C17H22N2O2/c1-11(2)15(17(3,4)21)19-16(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-11,15,21H,1-4H3,(H,19,20)/t15-/m0/s1
InChIKeyWKDMHRKBCGAMJO-HNNXBMFYSA-N
XLogP2.76
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-[1-(4-bromophenyl)ethyl]quinoline-8-carboxamide
CID 134028939
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(4-chloro-1-methoxybutan-2-yl)quinoline-8-carboxamide
CID 106155330
N-(2-cyanobutan-2-yl)quinoline-8-carboxamide
CID 62849552
N-(1-amino-3-methylpentan-3-yl)quinoline-8-carboxamide
CID 106164386
N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
CID 91942826
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(2-amino-1-cyclopropylethyl)quinoline-8-carboxamide;dihydrochloride
CID 119615422

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide?
The IUPAC name of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide (CID 136581170) is N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide.
What is the SMILES notation for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide?
The canonical SMILES for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide is CC(C)[C@H](NC(=O)c1cccc2cccnc12)C(C)(C)O.
What is the InChIKey of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide?
The InChIKey is WKDMHRKBCGAMJO-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(2)15(17(3,4)21)19-16(20)13-9-5-7-12-8-6-10-18-14(12)13/h5-11,15,21H,1-4H3,(H,19,20)/t15-/m0/s1.
What are the key properties of N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide?
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide has a molecular weight of 286.37 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide is sourced from PubChem (CID 136581170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).