4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid

C25H24N6O3 — CID 123697460

IUPAC4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(-c2ccc3nc(N)c(-c4ccc(N5CCN(C(=O)O)CC5)nc4)cc3c2)c[nH]c1=O
InChIInChI=1S/C25H24N6O3/c1-15-10-19(14-28-24(15)32)16-2-4-21-18(11-16)12-20(23(26)29-21)17-3-5-22(27-13-17)30-6-8-31(9-7-30)25(33)34/h2-5,10-14H,6-9H2,1H3,(H2,26,29)(H,28,32)(H,33,34)
InChIKeyNBCFGSMZBZIMLW-UHFFFAOYSA-N
MW456.51 g/mol
LogP3.34
Rot. Bonds3

About 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid

4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid (PubChem CID 123697460) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid
PubChem CID123697460
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid
SMILESCc1cc(-c2ccc3nc(N)c(-c4ccc(N5CCN(C(=O)O)CC5)nc4)cc3c2)c[nH]c1=O
InChIInChI=1S/C25H24N6O3/c1-15-10-19(14-28-24(15)32)16-2-4-21-18(11-16)12-20(23(26)29-21)17-3-5-22(27-13-17)30-6-8-31(9-7-30)25(33)34/h2-5,10-14H,6-9H2,1H3,(H2,26,29)(H,28,32)(H,33,34)
InChIKeyNBCFGSMZBZIMLW-UHFFFAOYSA-N
XLogP3.34
TPSA128.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The IUPAC name of 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid (CID 123697460) is 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid.
What is the SMILES notation for 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The canonical SMILES for 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid is Cc1cc(-c2ccc3nc(N)c(-c4ccc(N5CCN(C(=O)O)CC5)nc4)cc3c2)c[nH]c1=O.
What is the InChIKey of 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
The InChIKey is NBCFGSMZBZIMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-15-10-19(14-28-24(15)32)16-2-4-21-18(11-16)12-20(23(26)29-21)17-3-5-22(27-13-17)30-6-8-31(9-7-30)25(33)34/h2-5,10-14H,6-9H2,1H3,(H2,26,29)(H,28,32)(H,33,34).
What are the key properties of 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid?
4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid has a molecular weight of 456.51 g/mol, XLogP of 3.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-amino-6-(5-methyl-6-oxo-1H-pyridin-3-yl)quinolin-3-yl]-2-pyridinyl]piperazine-1-carboxylic acid is sourced from PubChem (CID 123697460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).