N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C18H21N3O4 — CID 6622402

IUPACN-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOC(CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)OC
InChIInChI=1S/C18H21N3O4/c1-20-14(17(22)19-10-15(24-3)25-4)9-12-16(20)11-7-5-6-8-13(11)21(2)18(12)23/h5-9,15H,10H2,1-4H3,(H,19,22)
InChIKeyMJRKKLGLEPJORZ-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.38
Rot. Bonds5

About N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 6622402) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID6622402
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC NameN-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCOC(CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)OC
InChIInChI=1S/C18H21N3O4/c1-20-14(17(22)19-10-15(24-3)25-4)9-12-16(20)11-7-5-6-8-13(11)21(2)18(12)23/h5-9,15H,10H2,1-4H3,(H,19,22)
InChIKeyMJRKKLGLEPJORZ-UHFFFAOYSA-N
XLogP1.38
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865242
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865258
1,5-dimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307091
N-butyl-N-ethyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865251
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309970
1,5-dimethyl-4-oxo-N-quinolin-3-ylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622464
N-(2,2-diphenylethyl)-3-hydroxy-1-methyl-2-oxoquinoline-4-carboxamide
CID 90355399
N-[(2-methoxyphenyl)methyl]-1-methyl-4-propan-2-ylpyrrolo[3,2-b]indole-2-carboxamide
CID 97361374
N-(2,2-dimethoxyethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)benzamide
CID 23793580
1-N,1-N,4-trimethyl-2-N-(2-methylbutyl)pyrrolo[3,2-b]indole-1,2-dicarboxamide
CID 134079752

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 6622402) is N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is COC(CNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)OC.
What is the InChIKey of N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is MJRKKLGLEPJORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-20-14(17(22)19-10-15(24-3)25-4)9-12-16(20)11-7-5-6-8-13(11)21(2)18(12)23/h5-9,15H,10H2,1-4H3,(H,19,22).
What are the key properties of N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 6622402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).