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

C18H19N3O3 — CID 3245449

IUPAC1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyQBDQQAGZGMLKRQ-UHFFFAOYSA-N
MW325.37 g/mol
LogP1.93
Rot. Bonds3

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

1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 3245449) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID3245449
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21
InChIInChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22)
InChIKeyQBDQQAGZGMLKRQ-UHFFFAOYSA-N
XLogP1.93
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide (CID 3245449) is 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is Cn1c(C(=O)NCC2CCCO2)cc2c(=O)[nH]c3ccccc3c21.
What is the InChIKey of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is QBDQQAGZGMLKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-21-15(18(23)19-10-11-5-4-8-24-11)9-13-16(21)12-6-2-3-7-14(12)20-17(13)22/h2-3,6-7,9,11H,4-5,8,10H2,1H3,(H,19,23)(H,20,22).
What are the key properties of 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide?
1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-(oxolan-2-ylmethyl)-5H-pyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 3245449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).