N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide

C17H22N2O2 — CID 95775157

IUPACN-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-11(8-13(3)20)10-18-17(21)15-9-12(2)19-16-7-5-4-6-14(15)16/h4-7,9,11,13,20H,8,10H2,1-3H3,(H,18,21)/t11-,13+/m1/s1
InChIKeyOSVLRVXSPGVHNV-YPMHNXCESA-N
MW286.38 g/mol
LogP2.68
Rot. Bonds5

About N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide

N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide (PubChem CID 95775157) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
PubChem CID95775157
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c2ccccc2n1
InChIInChI=1S/C17H22N2O2/c1-11(8-13(3)20)10-18-17(21)15-9-12(2)19-16-7-5-4-6-14(15)16/h4-7,9,11,13,20H,8,10H2,1-3H3,(H,18,21)/t11-,13+/m1/s1
InChIKeyOSVLRVXSPGVHNV-YPMHNXCESA-N
XLogP2.68
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
1-hydroxy-N-(4-hydroxy-2-methylpentyl)naphthalene-2-carboxamide
CID 111697244
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
CID 95312612
6-fluoro-N-(2-hydroxypropyl)-2-methylquinoline-4-carboxamide
CID 110489253
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
N-(4-aminobutan-2-yl)-2-methylquinoline-4-carboxamide
CID 62094391

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide (CID 95775157) is N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)NC[C@H](C)C[C@H](C)O)c2ccccc2n1.
What is the InChIKey of N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide?
The InChIKey is OSVLRVXSPGVHNV-YPMHNXCESA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11(8-13(3)20)10-18-17(21)15-9-12(2)19-16-7-5-4-6-14(15)16/h4-7,9,11,13,20H,8,10H2,1-3H3,(H,18,21)/t11-,13+/m1/s1.
What are the key properties of N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide?
N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 95775157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).