N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

C25H24N4O4 — CID 66893184

IUPACN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C25H24N4O4/c1-28-21-17-10-6-7-11-18(17)29(14-19(30)15-8-4-3-5-9-15)25(32)20(21)23(33-2)22(28)24(31)27-16-12-26-13-16/h3-11,16,26H,12-14H2,1-2H3,(H,27,31)
InChIKeyOHEMIFYOMGONEL-UHFFFAOYSA-N
MW444.49 g/mol
LogP2.09
Rot. Bonds6

About N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide

N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 66893184) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID66893184
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC NameN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21
InChIInChI=1S/C25H24N4O4/c1-28-21-17-10-6-7-11-18(17)29(14-19(30)15-8-4-3-5-9-15)25(32)20(21)23(33-2)22(28)24(31)27-16-12-26-13-16/h3-11,16,26H,12-14H2,1-2H3,(H,27,31)
InChIKeyOHEMIFYOMGONEL-UHFFFAOYSA-N
XLogP2.09
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide with MolForge

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Related Compounds

N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893183
3-methoxy-N,1-dimethyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 158000445
N-[4-(3-hydroxy-2-oxopropyl)cyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 58092879
3-methoxy-1-methyl-N-[3-(methylamino)propyl]-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 70973256
N-(2-aminocyclohexyl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893035
N-[(1S,2S)-2-aminocyclohexyl]-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
CID 66893032
tert-butyl 2-[3-[(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]acetate
CID 58092822
tert-butyl-[1-(3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbonyl)piperidin-4-yl]carbamic acid
CID 66892968
[3-[(3-methoxy-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carbonyl)amino]cyclohexyl]carbamic acid
CID 163986130
3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]-4-oxo-5-phenacyl-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 143856764
[2-[4-[[5-[(2-chlorophenyl)methyl]-3-methoxy-1-methyl-4-oxopyrrolo[3,2-c]quinoline-2-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
CID 66891712
3-ethoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carbaldehyde
CID 88591959

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide (CID 66893184) is N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is COc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.
What is the InChIKey of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is OHEMIFYOMGONEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-28-21-17-10-6-7-11-18(17)29(14-19(30)15-8-4-3-5-9-15)25(32)20(21)23(33-2)22(28)24(31)27-16-12-26-13-16/h3-11,16,26H,12-14H2,1-2H3,(H,27,31).
What are the key properties of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide?
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 444.49 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 66893184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).