methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate

C15H20N2O3 — CID 110485913

IUPACmethyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H20N2O3/c1-17-9-3-4-11-10-12(5-6-13(11)17)15(19)16-8-7-14(18)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,19)
InChIKeyPMVRQDSKTIPXFJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.36
Rot. Bonds4

About methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate

methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate (PubChem CID 110485913) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
PubChem CID110485913
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc2c(c1)CCCN2C
InChIInChI=1S/C15H20N2O3/c1-17-9-3-4-11-10-12(5-6-13(11)17)15(19)16-8-7-14(18)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,19)
InChIKeyPMVRQDSKTIPXFJ-UHFFFAOYSA-N
XLogP1.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate with MolForge

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Related Compounds

ethyl 2-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]acetate
CID 110485909
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485923
N-(3-formamidopropyl)-1-methyl-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485916
N-butyl-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485487
1-methyl-N-propan-2-yl-2,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 58575703
N-[2-(2-hydroxyethoxy)ethyl]-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485493
N-(5-hydroxypentyl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 110485516
fluoro 1-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 142338422
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
methyl 4-(1-acetyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347038
3,4,5-triethoxy-N-[2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]benzamide
CID 16837089
1-methyl-N-(1,3-thiazol-2-yl)-3,4-dihydro-2H-quinoline-6-carboxamide
CID 110485892

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate (CID 110485913) is methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate is COC(=O)CCNC(=O)c1ccc2c(c1)CCCN2C.
What is the InChIKey of methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate?
The InChIKey is PMVRQDSKTIPXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-17-9-3-4-11-10-12(5-6-13(11)17)15(19)16-8-7-14(18)20-2/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,19).
What are the key properties of methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate?
methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate has a molecular weight of 276.34 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methyl-3,4-dihydro-2H-quinoline-6-carbonyl)amino]propanoate is sourced from PubChem (CID 110485913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).