N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide

C22H31N3O — CID 98638684

IUPACN-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
SMILESCC(C)C[C@@H](C)NC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc12
InChIInChI=1S/C22H31N3O/c1-15(2)12-17(4)23-22(26)19-13-21(25-11-7-8-16(3)14-25)24-20-10-6-5-9-18(19)20/h5-6,9-10,13,15-17H,7-8,11-12,14H2,1-4H3,(H,23,26)/t16-,17+/m0/s1
InChIKeyVLISUGLZYNRSBE-DLBZAZTESA-N
MW353.51 g/mol
LogP4.64
Rot. Bonds5

About N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide

N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide (PubChem CID 98638684) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
PubChem CID98638684
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC NameN-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
SMILESCC(C)C[C@@H](C)NC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc12
InChIInChI=1S/C22H31N3O/c1-15(2)12-17(4)23-22(26)19-13-21(25-11-7-8-16(3)14-25)24-20-10-6-5-9-18(19)20/h5-6,9-10,13,15-17H,7-8,11-12,14H2,1-4H3,(H,23,26)/t16-,17+/m0/s1
InChIKeyVLISUGLZYNRSBE-DLBZAZTESA-N
XLogP4.64
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide with MolForge

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090941
2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
CID 92772448
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
N-(4-methylpentan-2-yl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]quinoline-4-carboxamide
CID 46090822
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090943
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
2-morpholin-4-yl-N-(1-morpholin-4-ylpropan-2-yl)quinoline-4-carboxamide
CID 46975816
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-2-methylquinoline-4-carboxamide
CID 60574501
2-methyl-N-(5-methylhexan-2-yl)quinoline-4-carboxamide
CID 4877911
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109
N-(3-methylbutyl)-6-(3-methylpiperidin-1-yl)-2-phenylpyrimidine-4-carboxamide
CID 112854369

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide?
The IUPAC name of N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide (CID 98638684) is N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide is CC(C)C[C@@H](C)NC(=O)c1cc(N2CCC[C@H](C)C2)nc2ccccc12.
What is the InChIKey of N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide?
The InChIKey is VLISUGLZYNRSBE-DLBZAZTESA-N. The full InChI is InChI=1S/C22H31N3O/c1-15(2)12-17(4)23-22(26)19-13-21(25-11-7-8-16(3)14-25)24-20-10-6-5-9-18(19)20/h5-6,9-10,13,15-17H,7-8,11-12,14H2,1-4H3,(H,23,26)/t16-,17+/m0/s1.
What are the key properties of N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide?
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide has a molecular weight of 353.51 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide is sourced from PubChem (CID 98638684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).