N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine

C23H23N5O2S — CID 90404660

IUPACN-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccc4cccnc4c3)C(c3ccccc3)C2)c1
InChIInChI=1S/C23H23N5O2S/c1-27-15-23(25-16-27)31(29,30)28-13-20(17-6-3-2-4-7-17)22(14-28)26-19-10-9-18-8-5-11-24-21(18)12-19/h2-12,15-16,20,22,26H,13-14H2,1H3
InChIKeyBDYWKFKMOVRCDD-UHFFFAOYSA-N
MW433.54 g/mol
LogP3.24
Rot. Bonds5

About N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine

N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine (PubChem CID 90404660) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
PubChem CID90404660
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
SMILESCn1cnc(S(=O)(=O)N2CC(Nc3ccc4cccnc4c3)C(c3ccccc3)C2)c1
InChIInChI=1S/C23H23N5O2S/c1-27-15-23(25-16-27)31(29,30)28-13-20(17-6-3-2-4-7-17)22(14-28)26-19-10-9-18-8-5-11-24-21(18)12-19/h2-12,15-16,20,22,26H,13-14H2,1H3
InChIKeyBDYWKFKMOVRCDD-UHFFFAOYSA-N
XLogP3.24
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The IUPAC name of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine (CID 90404660) is N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine.
What is the SMILES notation for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The canonical SMILES for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine is Cn1cnc(S(=O)(=O)N2CC(Nc3ccc4cccnc4c3)C(c3ccccc3)C2)c1.
What is the InChIKey of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The InChIKey is BDYWKFKMOVRCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-27-15-23(25-16-27)31(29,30)28-13-20(17-6-3-2-4-7-17)22(14-28)26-19-10-9-18-8-5-11-24-21(18)12-19/h2-12,15-16,20,22,26H,13-14H2,1H3.
What are the key properties of N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine has a molecular weight of 433.54 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine is sourced from PubChem (CID 90404660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).