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

C23H24N2O3 — CID 171792039

IUPAC2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(OCC2COC2)nc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-15-7-3-4-8-18(15)23(26)24-16(2)20-11-22(28-14-17-12-27-13-17)25-21-10-6-5-9-19(20)21/h3-11,16-17H,12-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyZHDRPEMOALJZSI-MRXNPFEDSA-N
MW376.46 g/mol
LogP4.06
Rot. Bonds6

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

2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide (PubChem CID 171792039) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
PubChem CID171792039
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide
SMILESCc1ccccc1C(=O)N[C@H](C)c1cc(OCC2COC2)nc2ccccc12
InChIInChI=1S/C23H24N2O3/c1-15-7-3-4-8-18(15)23(26)24-16(2)20-11-22(28-14-17-12-27-13-17)25-21-10-6-5-9-19(20)21/h3-11,16-17H,12-14H2,1-2H3,(H,24,26)/t16-/m1/s1
InChIKeyZHDRPEMOALJZSI-MRXNPFEDSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-chloroquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792284
N-[(1R)-1-(2-acetamidoquinolin-4-yl)ethyl]-2-methylbenzamide
CID 171792268
N-[(1R)-1-[2-[[(3R)-oxolan-3-yl]methoxy]quinolin-4-yl]propyl]benzamide
CID 171792158
2-methyl-N-[(1R)-1-[2-[(1-methylpyrazol-3-yl)amino]quinolin-4-yl]ethyl]benzamide
CID 171792159
N-[1-(2-chloroquinolin-4-yl)ethyl]-5-cyano-2-methylbenzamide
CID 171792372
N-[1-(2-methoxyphenyl)ethyl]-2-methylquinoline-4-carboxamide
CID 4883107
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
2-methyl-N-[(1R)-1-phenylethyl]benzamide
CID 681346
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
N-[1-[1-[2-(2,6-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16967510

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide (CID 171792039) is 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide is Cc1ccccc1C(=O)N[C@H](C)c1cc(OCC2COC2)nc2ccccc12.
What is the InChIKey of 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide?
The InChIKey is ZHDRPEMOALJZSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-15-7-3-4-8-18(15)23(26)24-16(2)20-11-22(28-14-17-12-27-13-17)25-21-10-6-5-9-19(20)21/h3-11,16-17H,12-14H2,1-2H3,(H,24,26)/t16-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide?
2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide has a molecular weight of 376.46 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-[2-(oxetan-3-ylmethoxy)quinolin-4-yl]ethyl]benzamide is sourced from PubChem (CID 171792039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).