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

C18H16N4O3 — CID 20865242

IUPAC1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)no1
InChIInChI=1S/C18H16N4O3/c1-10-8-15(20-25-10)19-17(23)14-9-12-16(21(14)2)11-6-4-5-7-13(11)22(3)18(12)24/h4-9H,1-3H3,(H,19,20,23)
InChIKeyOOYPBXJFYBFPDR-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.58
Rot. Bonds2

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

1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (PubChem CID 20865242) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
PubChem CID20865242
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)no1
InChIInChI=1S/C18H16N4O3/c1-10-8-15(20-25-10)19-17(23)14-9-12-16(21(14)2)11-6-4-5-7-13(11)22(3)18(12)24/h4-9H,1-3H3,(H,19,20,23)
InChIKeyOOYPBXJFYBFPDR-UHFFFAOYSA-N
XLogP2.58
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide (CID 20865242) is 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is Cc1cc(NC(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)no1.
What is the InChIKey of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
The InChIKey is OOYPBXJFYBFPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-10-8-15(20-25-10)19-17(23)14-9-12-16(21(14)2)11-6-4-5-7-13(11)22(3)18(12)24/h4-9H,1-3H3,(H,19,20,23).
What are the key properties of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide?
1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-oxopyrrolo[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 20865242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).