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

C25H25ClN4O4 — CID 66893183

IUPACN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
SMILESCOc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.Cl
InChIInChI=1S/C25H24N4O4.ClH/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);1H
InChIKeyMMDZQUJAHHHXFC-UHFFFAOYSA-N
MW480.95 g/mol
LogP2.51
Rot. Bonds6

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

N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride (PubChem CID 66893183) has the molecular formula C25H25ClN4O4 and a molecular weight of 480.95 g/mol. Its IUPAC name is N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
PubChem CID66893183
Molecular FormulaC25H25ClN4O4
Molecular Weight480.95 g/mol
Exact Mass480.16
IUPAC NameN-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride
SMILESCOc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.Cl
InChIInChI=1S/C25H24N4O4.ClH/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);1H
InChIKeyMMDZQUJAHHHXFC-UHFFFAOYSA-N
XLogP2.51
TPSA94.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.95
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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;hydrochloride?
The IUPAC name of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride (CID 66893183) is N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride?
The canonical SMILES for N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride is COc1c(C(=O)NC2CNC2)n(C)c2c1c(=O)n(CC(=O)c1ccccc1)c1ccccc21.Cl.
What is the InChIKey of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride?
The InChIKey is MMDZQUJAHHHXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4.ClH/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);1H.
What are the key properties of N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride?
N-(azetidin-3-yl)-3-methoxy-1-methyl-4-oxo-5-phenacylpyrrolo[3,2-c]quinoline-2-carboxamide;hydrochloride has a molecular weight of 480.95 g/mol, XLogP of 2.51, 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;hydrochloride is sourced from PubChem (CID 66893183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).