N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

C23H23N5O3 — CID 167844970

IUPACN-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)=NC(=O)C3C=COC=43)CC2)cn1
InChIInChI=1S/C23H23N5O3/c1-24-23(30)19-5-3-16(13-25-19)28-9-7-27(8-10-28)14-15-2-4-17-20(12-15)26-22(29)18-6-11-31-21(17)18/h2-6,11-13,18H,7-10,14H2,1H3,(H,24,30)
InChIKeyHSMNCCIYKUGQHC-UHFFFAOYSA-N
MW417.47 g/mol
LogP0.19
Rot. Bonds4

About N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (PubChem CID 167844970) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
PubChem CID167844970
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC NameN-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)=NC(=O)C3C=COC=43)CC2)cn1
InChIInChI=1S/C23H23N5O3/c1-24-23(30)19-5-3-16(13-25-19)28-9-7-27(8-10-28)14-15-2-4-17-20(12-15)26-22(29)18-6-11-31-21(17)18/h2-6,11-13,18H,7-10,14H2,1H3,(H,24,30)
InChIKeyHSMNCCIYKUGQHC-UHFFFAOYSA-N
XLogP0.19
TPSA87.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide (CID 167844970) is N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3ccc4c(c3)=NC(=O)C3C=COC=43)CC2)cn1.
What is the InChIKey of N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is HSMNCCIYKUGQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-24-23(30)19-5-3-16(13-25-19)28-9-7-27(8-10-28)14-15-2-4-17-20(12-15)26-22(29)18-6-11-31-21(17)18/h2-6,11-13,18H,7-10,14H2,1H3,(H,24,30).
What are the key properties of N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 417.47 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[4-[(4-oxo-3aH-furo[3,2-c]quinolin-7-yl)methyl]piperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 167844970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).