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

C23H23N5O2S — CID 90404658

IUPACN-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Nc3ccc4cccnc4c3)[C@@H](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/t20-,22+/m1/s1
InChIKeyBDYWKFKMOVRCDD-IRLDBZIGSA-N
MW433.54 g/mol
LogP3.24
Rot. Bonds5

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

N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine (PubChem CID 90404658) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine.

Molecular Properties

Compound NameN-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
PubChem CID90404658
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC NameN-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine
SMILESCn1cnc(S(=O)(=O)N2C[C@H](Nc3ccc4cccnc4c3)[C@@H](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/t20-,22+/m1/s1
InChIKeyBDYWKFKMOVRCDD-IRLDBZIGSA-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

Analyze N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine with MolForge

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Related Compounds

N-benzyl-N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-1H-imidazole-4-sulfonamide
CID 11237384
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-N-(2-methylprop-2-en-1-yl)-1H-imidazole-4-sulfonamide
CID 11363291
N-(2-{(4-cyanophenyl)[(1-methyl-1H-imidazol-5-yl)methyl]amino}ethyl)-1-methyl-N-(pyridin-2-ylmethyl)-1H-imidazole-4-sulfonamide
CID 16086180
1-methyl-N-(2-{[(1-methyl-1H-imidazol-5-yl)methyl](4-phenylphenyl)amino}ethyl)-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 23646363
2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 122690681
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridine-2-sulfonamide
CID 17758787
N-{6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}-1-methyl-N-[(2-methylphenyl)methyl]-1H-imidazole-4-sulfonamide
CID 11329760
US9656955, Example 351
CID 86295652
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-1-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]imidazole-4-sulfonamide
CID 17759638
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(2-methylprop-2-enyl)pyridine-2-sulfonamide
CID 44391508
N-(2-((4-cyanophenyl)((1-methyl-1H-imidazol-5-yl)methyl)amino)ethyl)-1-methyl-N-((1-(pyrimidin-2-yl)piperidin-4-yl)methyl)-1H-imidazole-4-sulfonamide
CID 16086178
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(2-pyrrol-1-ylethyl)pyridine-2-sulfonamide
CID 17758316

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The IUPAC name of N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine (CID 90404658) is N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine.
What is the SMILES notation for N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The canonical SMILES for N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine is Cn1cnc(S(=O)(=O)N2C[C@H](Nc3ccc4cccnc4c3)[C@@H](c3ccccc3)C2)c1.
What is the InChIKey of N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
The InChIKey is BDYWKFKMOVRCDD-IRLDBZIGSA-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/t20-,22+/m1/s1.
What are the key properties of N-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine?
N-[(3R,4S)-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-[(3R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]quinolin-7-amine is sourced from PubChem (CID 90404658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).