(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

C27H24N2O5S — CID 153030738

IUPAC(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C27H24N2O5S/c1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h2-15,31H,16-18H2,1H3
InChIKeyVDTIFVNSMMZJJX-UHFFFAOYSA-N
MW488.57 g/mol
LogP3.56
Rot. Bonds6

About (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone

(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (PubChem CID 153030738) has the molecular formula C27H24N2O5S and a molecular weight of 488.57 g/mol. Its IUPAC name is (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
PubChem CID153030738
Molecular FormulaC27H24N2O5S
Molecular Weight488.57 g/mol
Exact Mass488.14
IUPAC Name(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
SMILESCOc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1
InChIInChI=1S/C27H24N2O5S/c1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h2-15,31H,16-18H2,1H3
InChIKeyVDTIFVNSMMZJJX-UHFFFAOYSA-N
XLogP3.56
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.57
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-hydroxy-4-(2-methoxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86296900
N-[4-[4-hydroxy-4-[(3-methoxyphenyl)methyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86297697
N-[4-[4-hydroxy-4-[(2-methoxyphenyl)methyl]piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 86297892
N-[4-(4-benzyl-4-hydroxypiperidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 90419093
N-[4-[4-hydroxy-4-(3-methoxyphenyl)piperidine-1-carbonyl]phenyl]quinoline-8-sulfonamide
CID 90447564
N-[4-(3-hydroxy-3-methylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57382917
N-[4-(3-benzyl-3-hydroxyazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57382920
N-[4-(3-hydroxy-3-phenylazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57383003
N-[4-(3-hydroxyazetidine-1-carbonyl)-3-methoxyphenyl]quinoline-8-sulfonamide
CID 57383048
[4-[(2,3-Difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634770
[3-Methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]-[4-[[3-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]methanone
CID 59634778
[4-[(3,5-Difluorophenyl)methyl]piperazin-1-yl]-[3-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone
CID 59634789

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone (CID 153030738) is (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is COc1cc(CS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(O)(c2ccccc2)C1.
What is the InChIKey of (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
The InChIKey is VDTIFVNSMMZJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O5S/c1-34-23-15-19(16-35(32,33)24-11-5-7-20-8-6-14-28-25(20)24)12-13-22(23)26(30)29-17-27(31,18-29)21-9-3-2-4-10-21/h2-15,31H,16-18H2,1H3.
What are the key properties of (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone?
(3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone has a molecular weight of 488.57 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-phenylazetidin-1-yl)-[2-methoxy-4-(quinolin-8-ylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 153030738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).