N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

C24H27N3O — CID 46090941

IUPACN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(N2CCCC(C)C2)nc2ccccc12
InChIInChI=1S/C24H27N3O/c1-17-8-7-13-27(16-17)23-14-21(20-11-5-6-12-22(20)26-23)24(28)25-15-19-10-4-3-9-18(19)2/h3-6,9-12,14,17H,7-8,13,15-16H2,1-2H3,(H,25,28)
InChIKeyQHHKGNMYGGAUFS-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.71
Rot. Bonds4

About N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide

N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (PubChem CID 46090941) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
PubChem CID46090941
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC NameN-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
SMILESCc1ccccc1CNC(=O)c1cc(N2CCCC(C)C2)nc2ccccc12
InChIInChI=1S/C24H27N3O/c1-17-8-7-13-27(16-17)23-14-21(20-11-5-6-12-22(20)26-23)24(28)25-15-19-10-4-3-9-18(19)2/h3-6,9-12,14,17H,7-8,13,15-16H2,1-2H3,(H,25,28)
InChIKeyQHHKGNMYGGAUFS-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-methylpiperidin-1-yl]-N-(naphthalen-1-ylmethyl)quinoline-4-carboxamide
CID 92772448
N-[(2R)-4-methylpentan-2-yl]-2-[(3S)-3-methylpiperidin-1-yl]quinoline-4-carboxamide
CID 98638684
N-(3,3-dimethylbutan-2-yl)-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090939
N-[2-(3-methoxyphenyl)ethyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 46090943
6-methyl-N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109327489
2-[(3S)-3-methylpiperidin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]quinoline-4-carboxamide
CID 129423269
4-(chloromethyl)-2-(3-methylpiperidin-1-yl)quinoline
CID 61257807
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 108996675
N-(2-ethylphenyl)-2-(4-methylpiperidin-1-yl)quinoline-4-carboxamide
CID 91232917
N-[(2-methylphenyl)methyl]-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109046805
N-[(4-methylphenyl)methyl]-2-(4-oxopiperidin-1-yl)quinoline-4-carboxamide
CID 156633574
4-[(3R)-3-methylpiperidin-1-yl]-2-pyrrolidin-1-ylquinoline
CID 124896109

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The IUPAC name of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide (CID 46090941) is N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The canonical SMILES for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is Cc1ccccc1CNC(=O)c1cc(N2CCCC(C)C2)nc2ccccc12.
What is the InChIKey of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
The InChIKey is QHHKGNMYGGAUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-17-8-7-13-27(16-17)23-14-21(20-11-5-6-12-22(20)26-23)24(28)25-15-19-10-4-3-9-18(19)2/h3-6,9-12,14,17H,7-8,13,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide?
N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide has a molecular weight of 373.50 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-2-(3-methylpiperidin-1-yl)quinoline-4-carboxamide is sourced from PubChem (CID 46090941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).