1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine

C21H19ClN4O2S — CID 90468813

IUPAC1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21
InChIInChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1
InChIKeySNVFALINPNEXRI-HNNXBMFYSA-N
MW426.93 g/mol
LogP3.85
Rot. Bonds4

About 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine

1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine (PubChem CID 90468813) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
PubChem CID90468813
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine
SMILESO=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21
InChIInChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1
InChIKeySNVFALINPNEXRI-HNNXBMFYSA-N
XLogP3.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine?
The IUPAC name of 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine (CID 90468813) is 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine.
What is the SMILES notation for 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine?
The canonical SMILES for 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine is O=S(=O)(c1cccc(Cl)c1)n1ccc2c(N[C@H]3CCNC3)nc3ccccc3c21.
What is the InChIKey of 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine?
The InChIKey is SNVFALINPNEXRI-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-14-4-3-5-16(12-14)29(27,28)26-11-9-18-20(26)17-6-1-2-7-19(17)25-21(18)24-15-8-10-23-13-15/h1-7,9,11-12,15,23H,8,10,13H2,(H,24,25)/t15-/m0/s1.
What are the key properties of 1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine?
1-(3-chlorophenyl)sulfonyl-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine has a molecular weight of 426.93 g/mol, XLogP of 3.85, 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-N-[(3S)-pyrrolidin-3-yl]pyrrolo[3,2-c]quinolin-4-amine is sourced from PubChem (CID 90468813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).