1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one

C19H22N4O2 — CID 90644182

IUPAC1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1
InChIInChI=1S/C19H22N4O2/c1-21-8-5-9-23(11-10-21)19(25)16-12-15-17(22(16)2)13-6-3-4-7-14(13)18(24)20-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24)
InChIKeyIKQKARNYHFFILV-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.80
Rot. Bonds1

About 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one

1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one (PubChem CID 90644182) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one.

Molecular Properties

Compound Name1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
PubChem CID90644182
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one
SMILESCN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1
InChIInChI=1S/C19H22N4O2/c1-21-8-5-9-23(11-10-21)19(25)16-12-15-17(22(16)2)13-6-3-4-7-14(13)18(24)20-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24)
InChIKeyIKQKARNYHFFILV-UHFFFAOYSA-N
XLogP1.80
TPSA61.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one with MolForge

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Related Compounds

Rhazinal
CID 12041235
N-[(1-ethylpyrrolidin-2-yl)methyl]-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5307663
Indole-based 7-membered lactam, 23a
CID 44143558
Indole-based 7-membered lactam, 25a
CID 44143560
Indole-based 7-membered lactam, 25d
CID 44143561
N,4-dimethyl-N-[(1-methyl-1H-indol-2-yl)methyl]-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxamide
CID 6539884
N-cyclopentyl-1,5-dimethyl-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
CID 5309741
6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carboxylic acid methylamide
CID 10944628
1-Methyl-2-phenyl-1,3,4,5-tetrahydro-azepino[5,4,3-cd]indol-6-one
CID 10956768
6-Oxo-3,4,5,6-tetrahydro-1H-azepino[5,4,3-cd]indole-2-carboxylic acid isopropylamide
CID 11129411
N-[4-(1-methyl-5,6,7,8-tetrahydropyrrolo[3,2-b]azepine-4-carbonyl)phenyl]-2-phenylbenzamide
CID 11351397
7-(2-ethyl-6-methyl-benzylamino)-2,3-dimethyl-1H-pyrrolo[3,2-b]pyridine-5-carboxylic acid dimethylamide
CID 11508841

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The IUPAC name of 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one (CID 90644182) is 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one.
What is the SMILES notation for 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The canonical SMILES for 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one is CN1CCCN(C(=O)c2cc3[nH]c(=O)c4ccccc4c3n2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
The InChIKey is IKQKARNYHFFILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-21-8-5-9-23(11-10-21)19(25)16-12-15-17(22(16)2)13-6-3-4-7-14(13)18(24)20-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,20,24).
What are the key properties of 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one?
1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one has a molecular weight of 338.41 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methyl-1,4-diazepane-1-carbonyl)-4H-pyrrolo[3,2-c]isoquinolin-5-one is sourced from PubChem (CID 90644182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).