3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

C19H20N2O4 — CID 138028697

IUPAC3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCn1c(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cccc1=O
InChIInChI=1S/C19H20N2O4/c1-20-16(7-4-8-17(20)22)19(25)21-12-13(9-10-18(23)24)11-14-5-2-3-6-15(14)21/h2-8,13H,9-12H2,1H3,(H,23,24)
InChIKeyDRQRVUPAWSVAIN-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.07
Rot. Bonds4

About 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid

3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (PubChem CID 138028697) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
PubChem CID138028697
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid
SMILESCn1c(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cccc1=O
InChIInChI=1S/C19H20N2O4/c1-20-16(7-4-8-17(20)22)19(25)21-12-13(9-10-18(23)24)11-14-5-2-3-6-15(14)21/h2-8,13H,9-12H2,1H3,(H,23,24)
InChIKeyDRQRVUPAWSVAIN-UHFFFAOYSA-N
XLogP2.07
TPSA79.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The IUPAC name of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid (CID 138028697) is 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid.
What is the SMILES notation for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The canonical SMILES for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is Cn1c(C(=O)N2CC(CCC(=O)O)Cc3ccccc32)cccc1=O.
What is the InChIKey of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
The InChIKey is DRQRVUPAWSVAIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-20-16(7-4-8-17(20)22)19(25)21-12-13(9-10-18(23)24)11-14-5-2-3-6-15(14)21/h2-8,13H,9-12H2,1H3,(H,23,24).
What are the key properties of 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid?
3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid has a molecular weight of 340.38 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methyl-6-oxopyridine-2-carbonyl)-3,4-dihydro-2H-quinolin-3-yl]propanoic acid is sourced from PubChem (CID 138028697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).