2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide

C20H18BrN3O3 — CID 91958897

IUPAC2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)Nc2cc(C)nc3ccccc23)cc2oc(Br)cc21
InChIInChI=1S/C20H18BrN3O3/c1-12-9-15(13-5-3-4-6-14(13)22-12)23-20(25)17-10-18-16(11-19(21)27-18)24(17)7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,25)
InChIKeyYQSKYUCAKHFFFP-UHFFFAOYSA-N
MW428.29 g/mol
LogP4.75
Rot. Bonds5

About 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide

2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 91958897) has the molecular formula C20H18BrN3O3 and a molecular weight of 428.29 g/mol. Its IUPAC name is 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
PubChem CID91958897
Molecular FormulaC20H18BrN3O3
Molecular Weight428.29 g/mol
Exact Mass427.05
IUPAC Name2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide
SMILESCOCCn1c(C(=O)Nc2cc(C)nc3ccccc23)cc2oc(Br)cc21
InChIInChI=1S/C20H18BrN3O3/c1-12-9-15(13-5-3-4-6-14(13)22-12)23-20(25)17-10-18-16(11-19(21)27-18)24(17)7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,25)
InChIKeyYQSKYUCAKHFFFP-UHFFFAOYSA-N
XLogP4.75
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-bromo-4-(2-methoxyethyl)-N-(3-morpholin-4-ylpropyl)furo[3,2-b]pyrrole-5-carboxamide
CID 91958895
4-bromo-N-(2-methylquinolin-4-yl)-1H-pyrrole-2-carboxamide
CID 43411205
2-iodo-N-(2-methylquinolin-4-yl)benzamide
CID 60653788
5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-(2-methylquinolin-4-yl)pyrazole-4-carboxamide
CID 75526259
1-(2-methylquinolin-4-yl)-3-phenylurea
CID 5110969
3-amino-N-(2-methylquinolin-4-yl)pyridine-2-carboxamide
CID 104740834
N-(2-methylquinolin-4-yl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574215
2,3-dimethyl-N-(2-methylquinolin-4-yl)quinoxaline-6-carboxamide
CID 29152059
N-(2-methylquinolin-4-yl)-3-sulfanylbenzamide
CID 107020202
3-chloro-N-(2-methylquinolin-4-yl)benzamide
CID 4298030
4-benzyl-2-bromo-N-(2-butan-2-ylpyrazol-3-yl)furo[3,2-b]pyrrole-5-carboxamide
CID 91959051

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide (CID 91958897) is 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide is COCCn1c(C(=O)Nc2cc(C)nc3ccccc23)cc2oc(Br)cc21.
What is the InChIKey of 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is YQSKYUCAKHFFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O3/c1-12-9-15(13-5-3-4-6-14(13)22-12)23-20(25)17-10-18-16(11-19(21)27-18)24(17)7-8-26-2/h3-6,9-11H,7-8H2,1-2H3,(H,22,23,25).
What are the key properties of 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methoxyethyl)-N-(2-methylquinolin-4-yl)furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 91958897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).