1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine

C21H18ClFN4O2S — CID 90469043

IUPAC1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(NC3CCNC3)nc3cc(F)ccc3c21
InChIInChI=1S/C21H18ClFN4O2S/c22-13-2-1-3-16(10-13)30(28,29)27-9-7-18-20(27)17-5-4-14(23)11-19(17)26-21(18)25-15-6-8-24-12-15/h1-5,7,9-11,15,24H,6,8,12H2,(H,25,26)
InChIKeyNQFHLKJGPXQMJI-UHFFFAOYSA-N
MW444.92 g/mol
LogP3.99
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine

1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine (PubChem CID 90469043) has the molecular formula C21H18ClFN4O2S and a molecular weight of 444.92 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine
PubChem CID90469043
Molecular FormulaC21H18ClFN4O2S
Molecular Weight444.92 g/mol
Exact Mass444.08
IUPAC Name1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(NC3CCNC3)nc3cc(F)ccc3c21
InChIInChI=1S/C21H18ClFN4O2S/c22-13-2-1-3-16(10-13)30(28,29)27-9-7-18-20(27)17-5-4-14(23)11-19(17)26-21(18)25-15-6-8-24-12-15/h1-5,7,9-11,15,24H,6,8,12H2,(H,25,26)
InChIKeyNQFHLKJGPXQMJI-UHFFFAOYSA-N
XLogP3.99
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.92
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine (CID 90469043) is 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(NC3CCNC3)nc3cc(F)ccc3c21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is NQFHLKJGPXQMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2S/c22-13-2-1-3-16(10-13)30(28,29)27-9-7-18-20(27)17-5-4-14(23)11-19(17)26-21(18)25-15-6-8-24-12-15/h1-5,7,9-11,15,24H,6,8,12H2,(H,25,26).
What are the key properties of 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine?
1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 444.92 g/mol, XLogP of 3.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)sulfonyl-7-fluoro-N-pyrrolidin-3-ylpyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 90469043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).