1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone

C19H15N3O — CID 155812098

IUPAC1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c1c(-c1ccccn1)nc1ccccc12
InChIInChI=1S/C19H15N3O/c1-11-16(12(2)23)17-18(21-11)13-7-3-4-8-14(13)22-19(17)15-9-5-6-10-20-15/h3-10,21H,1-2H3
InChIKeyKLTHWOMPEUZEJS-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.29
Rot. Bonds2

About 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone

1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone (PubChem CID 155812098) has the molecular formula C19H15N3O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone
PubChem CID155812098
Molecular FormulaC19H15N3O
Molecular Weight301.35 g/mol
Exact Mass301.12
IUPAC Name1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone
SMILESCC(=O)c1c(C)[nH]c2c1c(-c1ccccn1)nc1ccccc12
InChIInChI=1S/C19H15N3O/c1-11-16(12(2)23)17-18(21-11)13-7-3-4-8-14(13)22-19(17)15-9-5-6-10-20-15/h3-10,21H,1-2H3
InChIKeyKLTHWOMPEUZEJS-UHFFFAOYSA-N
XLogP4.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone?
The IUPAC name of 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone (CID 155812098) is 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone.
What is the SMILES notation for 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone?
The canonical SMILES for 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone is CC(=O)c1c(C)[nH]c2c1c(-c1ccccn1)nc1ccccc12.
What is the InChIKey of 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone?
The InChIKey is KLTHWOMPEUZEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O/c1-11-16(12(2)23)17-18(21-11)13-7-3-4-8-14(13)22-19(17)15-9-5-6-10-20-15/h3-10,21H,1-2H3.
What are the key properties of 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone?
1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone has a molecular weight of 301.35 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-4-pyridin-2-yl-1H-pyrrolo[3,2-c]quinolin-3-yl)ethanone is sourced from PubChem (CID 155812098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).