2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide

C23H23N5O — CID 171792159

IUPAC2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(Nc2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C23H23N5O/c1-15-8-4-5-9-17(15)23(29)24-16(2)19-14-22(26-21-12-13-28(3)27-21)25-20-11-7-6-10-18(19)20/h4-14,16H,1-3H3,(H,24,29)(H,25,26,27)/t16-/m1/s1
InChIKeyRFVAJDYVSZNELE-MRXNPFEDSA-N
MW385.47 g/mol
LogP4.51
Rot. Bonds5

About 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide

2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide (PubChem CID 171792159) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
PubChem CID171792159
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(Nc2ccn(C)n2)nc2ccccc12
InChIInChI=1S/C23H23N5O/c1-15-8-4-5-9-17(15)23(29)24-16(2)19-14-22(26-21-12-13-28(3)27-21)25-20-11-7-6-10-18(19)20/h4-14,16H,1-3H3,(H,24,29)(H,25,26,27)/t16-/m1/s1
InChIKeyRFVAJDYVSZNELE-MRXNPFEDSA-N
XLogP4.51
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792268
N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
4-[(1-methylpyrazol-3-yl)amino]quinoline-2-carboxylic acid
CID 79779480
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
CID 171792039
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
5-cyano-2-methyl-N-[(1R)-1-[2-(triazol-1-yl)quinolin-4-yl]ethyl]benzamide
CID 171792139
2-[(2-fluorobenzoyl)amino]-3-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 71938716
2-methyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]quinoline-4-carboxamide
CID 95279293
2-methyl-4-[(1-methylimidazol-2-yl)methylsulfinylmethyl]-N-[(1R)-1-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]ethyl]benzamide
CID 171792417

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide (CID 171792159) is 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide is Cc1ccccc1C(=O)N[C@H](C)c1cc(Nc2ccn(C)n2)nc2ccccc12.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide?
The InChIKey is RFVAJDYVSZNELE-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H23N5O/c1-15-8-4-5-9-17(15)23(29)24-16(2)19-14-22(26-21-12-13-28(3)27-21)25-20-11-7-6-10-18(19)20/h4-14,16H,1-3H3,(H,24,29)(H,25,26,27)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide?
2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide has a molecular weight of 385.47 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide is sourced from PubChem (CID 171792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).