[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium

C23H28N3O+ — CID 6962287

IUPAC[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCCc1nc2ccccc2c(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c1C
InChIInChI=1S/C23H27N3O/c1-4-20-17(3)23(19-12-8-9-13-21(19)25-20)26-22(27)15-24-16(2)14-18-10-6-5-7-11-18/h5-13,16,24H,4,14-15H2,1-3H3,(H,25,26,27)/p+1/t16-/m1/s1
InChIKeyYHPPORWARGLPBZ-MRXNPFEDSA-O
MW362.50 g/mol
LogP3.24
Rot. Bonds7

About [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium

[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium (PubChem CID 6962287) has the molecular formula C23H28N3O+ and a molecular weight of 362.50 g/mol. Its IUPAC name is [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium.

Molecular Properties

Compound Name[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium
PubChem CID6962287
Molecular FormulaC23H28N3O+
Molecular Weight362.50 g/mol
Exact Mass362.22
IUPAC Name[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium
SMILESCCc1nc2ccccc2c(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c1C
InChIInChI=1S/C23H27N3O/c1-4-20-17(3)23(19-12-8-9-13-21(19)25-20)26-22(27)15-24-16(2)14-18-10-6-5-7-11-18/h5-13,16,24H,4,14-15H2,1-3H3,(H,25,26,27)/p+1/t16-/m1/s1
InChIKeyYHPPORWARGLPBZ-MRXNPFEDSA-O
XLogP3.24
TPSA58.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium with MolForge

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Related Compounds

N-(2-ethyl-3-methylquinolin-4-yl)butanamide
CID 787490
tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium
CID 4000586
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592643
3-(3,4-dimethoxyphenyl)-N-(2-ethyl-3-methylquinolin-4-yl)prop-2-enamide
CID 1124745
[(1R)-1-cyanoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2592746
[2-[2-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847154
[2-(2,6-dibromo-4-methylanilino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 23933540
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2428274
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199
(1-amino-1-oxopropan-2-yl) 2-ethyl-3-methylquinoline-4-carboxylate
CID 3941582
[2-(methylamino)-2-oxoethyl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 2417862
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-ethyl-3-methylquinoline-4-carboxylate
CID 7847100

Frequently Asked Questions

What is the IUPAC name of [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium?
The IUPAC name of [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium (CID 6962287) is [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium.
What is the SMILES notation for [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium?
The canonical SMILES for [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium is CCc1nc2ccccc2c(NC(=O)C[NH2+][C@H](C)Cc2ccccc2)c1C.
What is the InChIKey of [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium?
The InChIKey is YHPPORWARGLPBZ-MRXNPFEDSA-O. The full InChI is InChI=1S/C23H27N3O/c1-4-20-17(3)23(19-12-8-9-13-21(19)25-20)26-22(27)15-24-16(2)14-18-10-6-5-7-11-18/h5-13,16,24H,4,14-15H2,1-3H3,(H,25,26,27)/p+1/t16-/m1/s1.
What are the key properties of [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium?
[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium has a molecular weight of 362.50 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-[(2R)-1-phenylpropan-2-yl]azanium is sourced from PubChem (CID 6962287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).