4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide

C24H28N4O2 — CID 90654547

IUPAC4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(N)c2ccccc21
InChIInChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)
InChIKeyOGWLQWKNOZWLAF-UHFFFAOYSA-N
MW404.51 g/mol
LogP2.76
Rot. Bonds5

About 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide

4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 90654547) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID90654547
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC Name4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(N)c2ccccc21
InChIInChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29)
InChIKeyOGWLQWKNOZWLAF-UHFFFAOYSA-N
XLogP2.76
TPSA80.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide (CID 90654547) is 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCC2CCN(Cc3ccccc3)CC2)c(N)c2ccccc21.
What is the InChIKey of 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is OGWLQWKNOZWLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-27-20-10-6-5-9-19(20)22(25)21(24(27)30)23(29)26-15-17-11-13-28(14-12-17)16-18-7-3-2-4-8-18/h2-10,17H,11-16,25H2,1H3,(H,26,29).
What are the key properties of 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide?
4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 404.51 g/mol, XLogP of 2.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-benzylpiperidin-4-yl)methyl]-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 90654547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).