methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate

C17H20N2O3 — CID 68954177

IUPACmethyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22-3)19-16(20)13-6-7-14-12(10-13)5-4-8-18-14/h4-8,10-11,15H,9H2,1-3H3,(H,19,20)
InChIKeyBZMYUNLRYNGVGA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.55
Rot. Bonds5

About methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate

methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate (PubChem CID 68954177) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
PubChem CID68954177
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namemethyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc2ncccc2c1
InChIInChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22-3)19-16(20)13-6-7-14-12(10-13)5-4-8-18-14/h4-8,10-11,15H,9H2,1-3H3,(H,19,20)
InChIKeyBZMYUNLRYNGVGA-UHFFFAOYSA-N
XLogP2.55
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)quinoline-6-carboxamide
CID 63730919
2-(quinoline-6-carbonylamino)butanoic acid
CID 62848486
methyl 2-methyl-4-oxo-4-quinolin-6-ylbutanoate
CID 63968055
methyl (2S)-2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 59948585
methyl 2-[(3-aminobenzoyl)amino]-4-methylpentanoate
CID 20624047
(2S)-2-(quinoline-6-carbonylamino)butanediamide
CID 70062244
2-(quinoline-6-carbonylamino)pentanoic acid
CID 62849349
methyl (2R)-4-methyl-2-[(2-methyl-1,3-benzoxazole-6-carbonyl)amino]pentanoate
CID 68951178
N-(1-amino-1-hydroxyiminobutan-2-yl)quinoline-6-carboxamide
CID 76975214
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]-4-methylpentanoate
CID 60565397
methyl (2R)-2-[(3-bromobenzoyl)amino]-4-methylpentanoate
CID 40570434
methyl (2S)-2-[(3,4-dimethylbenzoyl)amino]-4-methylpentanoate
CID 798267

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate?
The IUPAC name of methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate (CID 68954177) is methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate.
What is the SMILES notation for methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate?
The canonical SMILES for methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccc2ncccc2c1.
What is the InChIKey of methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate?
The InChIKey is BZMYUNLRYNGVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)9-15(17(21)22-3)19-16(20)13-6-7-14-12(10-13)5-4-8-18-14/h4-8,10-11,15H,9H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate?
methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate has a molecular weight of 300.36 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-(quinoline-6-carbonylamino)pentanoate is sourced from PubChem (CID 68954177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).