3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid

C30H40N4O3 — CID 10458809

IUPAC3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
SMILESCN1CC(C(CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)Cc2ccccc21
InChIInChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)
InChIKeyJJAXPFWZGVIPSO-UHFFFAOYSA-N
MW504.68 g/mol
LogP4.40
Rot. Bonds8

About 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid

3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid (PubChem CID 10458809) has the molecular formula C30H40N4O3 and a molecular weight of 504.68 g/mol. Its IUPAC name is 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid.

Molecular Properties

Compound Name3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
PubChem CID10458809
Molecular FormulaC30H40N4O3
Molecular Weight504.68 g/mol
Exact Mass504.31
IUPAC Name3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid
SMILESCN1CC(C(CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)Cc2ccccc21
InChIInChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37)
InChIKeyJJAXPFWZGVIPSO-UHFFFAOYSA-N
XLogP4.40
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.68
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The IUPAC name of 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid (CID 10458809) is 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid.
What is the SMILES notation for 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The canonical SMILES for 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid is CN1CC(C(CC(=O)O)CC2CCN(C(=O)CCc3ccc4c(n3)NCCC4)CC2)Cc2ccccc21.
What is the InChIKey of 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
The InChIKey is JJAXPFWZGVIPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H40N4O3/c1-33-20-25(18-23-5-2-3-7-27(23)33)24(19-29(36)37)17-21-12-15-34(16-13-21)28(35)11-10-26-9-8-22-6-4-14-31-30(22)32-26/h2-3,5,7-9,21,24-25H,4,6,10-20H2,1H3,(H,31,32)(H,36,37).
What are the key properties of 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid?
3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid has a molecular weight of 504.68 g/mol, XLogP of 4.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-3,4-dihydro-2H-quinolin-3-yl)-4-[1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propanoyl]piperidin-4-yl]butanoic acid is sourced from PubChem (CID 10458809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).