N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

C22H19N3O4 — CID 5309970

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C22H19N3O4/c1-24-17(21(26)23-13-7-8-18-19(11-13)29-10-9-28-18)12-15-20(24)14-5-3-4-6-16(14)25(2)22(15)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPUEUBPOKIDQUMK-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.05
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5309970) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5309970
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C22H19N3O4/c1-24-17(21(26)23-13-7-8-18-19(11-13)29-10-9-28-18)12-15-20(24)14-5-3-4-6-16(14)25(2)22(15)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeyPUEUBPOKIDQUMK-UHFFFAOYSA-N
XLogP3.05
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15999118
N-(1,3-benzodioxol-5-yl)-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857409
N-(2-fluorophenyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 20865243
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3432115
1,5-dimethyl-4-oxo-N-quinolin-3-ylpyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622464
N-(1,3-benzodioxol-5-yl)-5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carboxamide
CID 15994399
N-(2,2-dimethoxyethyl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 6622402
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,6,7-trimethyl-3-oxoquinoxaline-2-carboxamide
CID 46249297
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(9-oxoacridin-10-yl)butanamide
CID 15998549
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4-methyl-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-1-yl)sulfanyl]propanamide
CID 46639319
1,5-dimethyl-4-oxo-N-(pyridin-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309438
(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 7421279

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 5309970) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)Nc2ccc3c(c2)OCCO3)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is PUEUBPOKIDQUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-24-17(21(26)23-13-7-8-18-19(11-13)29-10-9-28-18)12-15-20(24)14-5-3-4-6-16(14)25(2)22(15)27/h3-8,11-12H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5309970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).