methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate

C25H21N3O5 — CID 71208704

IUPACmethyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
InChIInChI=1S/C25H21N3O5/c1-32-18-10-11-19-21(13-18)28(17-8-4-3-5-9-17)22(25(31)33-2)20(23(19)29)15-27-24(30)16-7-6-12-26-14-16/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyQZAPVCQJMBTNGH-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.11
Rot. Bonds6

About methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate

methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate (PubChem CID 71208704) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate
PubChem CID71208704
Molecular FormulaC25H21N3O5
Molecular Weight443.46 g/mol
Exact Mass443.15
IUPAC Namemethyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate
SMILESCOC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1
InChIInChI=1S/C25H21N3O5/c1-32-18-10-11-19-21(13-18)28(17-8-4-3-5-9-17)22(25(31)33-2)20(23(19)29)15-27-24(30)16-7-6-12-26-14-16/h3-14H,15H2,1-2H3,(H,27,30)
InChIKeyQZAPVCQJMBTNGH-UHFFFAOYSA-N
XLogP3.11
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate with MolForge

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Related Compounds

methyl 3-[[(4-fluorobenzoyl)amino]methyl]-7-methoxy-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208938
methyl 3-[(chloroamino)methyl]-7-methoxy-4-oxo-1-phenylquinoline-2-carboxylate
CID 89391689
methyl 7-chloro-3-[[(4-methoxycarbonylbenzoyl)amino]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208523
methyl 7-chloro-4-oxo-1-phenyl-3-[[(4-sulfamoylbenzoyl)amino]methyl]quinoline-2-carboxylate
CID 71208509
methyl 7-chloro-3-[[[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 71208521
N-[(2,4,6-trimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 110784319
methyl 7-chloro-3-ethyl-4-oxo-1-phenylquinoline-2-carboxylate
CID 118601550
N-[(2-acetyl-7-chloro-4-oxo-1-phenylquinolin-3-yl)methyl]-4-(1H-pyrazol-5-yl)benzamide
CID 71229739
methyl 7-chloro-4-oxo-8-phenyl-3-[(pyridine-3-carbonylamino)methyl]-1H-quinoline-2-carboxylate
CID 71212435
methyl 7-chloro-3-[[4-(methylcarbamoyl)phenyl]methyl]-4-oxo-1-phenylquinoline-2-carboxylate
CID 59846189
N-[[7-chloro-2-(1-methoxyethenyl)-4-oxo-1-phenylquinolin-3-yl]methyl]-4-methylsulfonylbenzamide
CID 118601600
2-(pyridine-3-carbonylamino)ethyl 3-methoxybenzoate chloride
CID 21236630

Frequently Asked Questions

What is the IUPAC name of methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate?
The IUPAC name of methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate (CID 71208704) is methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate?
The canonical SMILES for methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate is COC(=O)c1c(CNC(=O)c2cccnc2)c(=O)c2ccc(OC)cc2n1-c1ccccc1.
What is the InChIKey of methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate?
The InChIKey is QZAPVCQJMBTNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-32-18-10-11-19-21(13-18)28(17-8-4-3-5-9-17)22(25(31)33-2)20(23(19)29)15-27-24(30)16-7-6-12-26-14-16/h3-14H,15H2,1-2H3,(H,27,30).
What are the key properties of methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate?
methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate has a molecular weight of 443.46 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-methoxy-4-oxo-1-phenyl-3-[(pyridine-3-carbonylamino)methyl]quinoline-2-carboxylate is sourced from PubChem (CID 71208704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).