methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate

C19H26N2O4 — CID 134034550

IUPACmethyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)OC
InChIInChI=1S/C19H26N2O4/c1-4-11-19(2,18(24)25-3)21-16(22)10-9-14-12-13-7-5-6-8-15(13)20-17(14)23/h5-8,14H,4,9-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyHJGXARVFXVJIRR-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.43
Rot. Bonds7

About methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate

methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate (PubChem CID 134034550) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate
PubChem CID134034550
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate
SMILESCCCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)OC
InChIInChI=1S/C19H26N2O4/c1-4-11-19(2,18(24)25-3)21-16(22)10-9-14-12-13-7-5-6-8-15(13)20-17(14)23/h5-8,14H,4,9-12H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyHJGXARVFXVJIRR-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]butanoic acid
CID 119199666
methyl 2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]acetate
CID 134051213
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
(2S,3S)-3-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoic acid
CID 119194338
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 119641050
N-(2-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615477
N-(2-hydroxy-2,3-dimethylpentyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 111446660
N-(2-amino-2-ethylbutyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide;hydrochloride
CID 119641049
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 30211328
N-(2-hydroxyethyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 78839484
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
(2R)-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]-2-phenylacetic acid
CID 119367609

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate (CID 134034550) is methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate is CCCC(C)(NC(=O)CCC1Cc2ccccc2NC1=O)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate?
The InChIKey is HJGXARVFXVJIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-4-11-19(2,18(24)25-3)21-16(22)10-9-14-12-13-7-5-6-8-15(13)20-17(14)23/h5-8,14H,4,9-12H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate?
methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate has a molecular weight of 346.43 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]pentanoate is sourced from PubChem (CID 134034550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).