N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide

C20H28N4O — CID 95312612

IUPACN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2cc(C)nc3ccccc23)CC1
InChIInChI=1S/C20H28N4O/c1-4-23-9-11-24(12-10-23)16(3)14-21-20(25)18-13-15(2)22-19-8-6-5-7-17(18)19/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyMEHPHWAAZVPQCL-MRXNPFEDSA-N
MW340.47 g/mol
LogP2.30
Rot. Bonds5

About N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide

N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide (PubChem CID 95312612) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
PubChem CID95312612
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC NameN-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide
SMILESCCN1CCN([C@H](C)CNC(=O)c2cc(C)nc3ccccc23)CC1
InChIInChI=1S/C20H28N4O/c1-4-23-9-11-24(12-10-23)16(3)14-21-20(25)18-13-15(2)22-19-8-6-5-7-17(18)19/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)/t16-/m1/s1
InChIKeyMEHPHWAAZVPQCL-MRXNPFEDSA-N
XLogP2.30
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R,4S)-4-hydroxy-2-methylpentyl]-2-methylquinoline-4-carboxamide
CID 95775157
N-(2-cyanopropyl)-2-methylquinoline-4-carboxamide
CID 55101906
N-[2-(azepan-1-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 46291441
methyl 2-hydroxy-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103879325
methyl 2-iodo-3-[(2-methylquinoline-4-carbonyl)amino]propanoate
CID 103493219
(2S)-2-(4-ethylpiperazin-1-yl)-3-[[4-[(2-methylquinolin-4-yl)methoxy]benzoyl]amino]propanoic acid
CID 67056976
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
N-[2-(cyclopropylamino)ethyl]-2-methylquinoline-4-carboxamide
CID 62664736
N-(2-benzamidoethyl)-2-methylquinoline-4-carboxamide
CID 38202874
N-(cyanomethyl)-2-methylquinoline-4-carboxamide
CID 51890088
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylquinoline-4-carboxamide
CID 51162734
(2S)-2-hydroxy-4-[(2-methylquinoline-4-carbonyl)amino]butanoic acid
CID 107834591

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide (CID 95312612) is N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide is CCN1CCN([C@H](C)CNC(=O)c2cc(C)nc3ccccc23)CC1.
What is the InChIKey of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide?
The InChIKey is MEHPHWAAZVPQCL-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O/c1-4-23-9-11-24(12-10-23)16(3)14-21-20(25)18-13-15(2)22-19-8-6-5-7-17(18)19/h5-8,13,16H,4,9-12,14H2,1-3H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide?
N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-ethylpiperazin-1-yl)propyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 95312612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).