2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline

C21H14N4 — CID 163835390

IUPAC2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline
SMILESc1c[nH]c(-c2cnc3cc(-c4cnc5ccccc5n4)ccc3c2)c1
InChIInChI=1S/C21H14N4/c1-2-5-19-18(4-1)24-13-21(25-19)15-8-7-14-10-16(12-23-20(14)11-15)17-6-3-9-22-17/h1-13,22H
InChIKeyOHHNKKIYBZHDST-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.84
Rot. Bonds2

About 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline

2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline (PubChem CID 163835390) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline.

Molecular Properties

Compound Name2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline
PubChem CID163835390
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline
SMILESc1c[nH]c(-c2cnc3cc(-c4cnc5ccccc5n4)ccc3c2)c1
InChIInChI=1S/C21H14N4/c1-2-5-19-18(4-1)24-13-21(25-19)15-8-7-14-10-16(12-23-20(14)11-15)17-6-3-9-22-17/h1-13,22H
InChIKeyOHHNKKIYBZHDST-UHFFFAOYSA-N
XLogP4.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline 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

3-(1,8-naphthyridin-3-yl)-7-quinoxalin-2-ylcinnoline
CID 170125831
2-(3H-benzimidazol-5-yl)quinoxaline
CID 126589483
2-quinazolin-6-ylquinoxaline
CID 135299830
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)quinoxaline
CID 90361383
2-(8-quinoxalin-2-yldibenzothiophen-2-yl)quinoxaline
CID 634917
CID 88913467
CID 88913467
4-naphthalen-2-yl-2-(4-phenylphenyl)-6-[4-[4-(1H-pyrrol-2-yl)phenyl]phenyl]pyrimidine
CID 146382699
2-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-7-(1H-pyrrol-2-yl)-1,5-naphthyridine
CID 167367044
2-[4-(4-quinoxalin-2-ylphenoxy)phenyl]quinoxaline
CID 2246096
2-[3-[(3-quinoxalin-2-ylphenyl)methyl]phenyl]quinoxaline
CID 161236708
2-(1,3-benzodioxol-5-yl)quinoxaline
CID 39776102
3-(4-quinolin-3-ylphenyl)-7-[4-(trifluoromethyl)phenyl]quinoline
CID 169293562

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline?
The IUPAC name of 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline (CID 163835390) is 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline.
What is the SMILES notation for 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline?
The canonical SMILES for 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline is c1c[nH]c(-c2cnc3cc(-c4cnc5ccccc5n4)ccc3c2)c1.
What is the InChIKey of 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline?
The InChIKey is OHHNKKIYBZHDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4/c1-2-5-19-18(4-1)24-13-21(25-19)15-8-7-14-10-16(12-23-20(14)11-15)17-6-3-9-22-17/h1-13,22H.
What are the key properties of 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline?
2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline has a molecular weight of 322.37 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-pyrrol-2-yl)quinolin-7-yl]quinoxaline is sourced from PubChem (CID 163835390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).