1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

C19H21N3O3 — CID 5308118

IUPAC1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C19H21N3O3/c1-21-16(18(23)20-11-12-6-5-9-25-12)10-14-17(21)13-7-3-4-8-15(13)22(2)19(14)24/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,23)
InChIKeySMWXAGLOILJZBJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP1.94
Rot. Bonds3

About 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide

1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 5308118) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID5308118
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21
InChIInChI=1S/C19H21N3O3/c1-21-16(18(23)20-11-12-6-5-9-25-12)10-14-17(21)13-7-3-4-8-15(13)22(2)19(14)24/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,23)
InChIKeySMWXAGLOILJZBJ-UHFFFAOYSA-N
XLogP1.94
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide (CID 5308118) is 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21.
What is the InChIKey of 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is SMWXAGLOILJZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21-16(18(23)20-11-12-6-5-9-25-12)10-14-17(21)13-7-3-4-8-15(13)22(2)19(14)24/h3-4,7-8,10,12H,5-6,9,11H2,1-2H3,(H,20,23).
What are the key properties of 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide?
1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-4-oxo-N-(oxolan-2-ylmethyl)pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 5308118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).