N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

C23H25N3O6S — CID 4526394

IUPACN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O6S/c1-31-19-5-2-17-14-18(23(28)25-21(17)15-19)8-9-24-22(27)16-3-6-20(7-4-16)33(29,30)26-10-12-32-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27)(H,25,28)
InChIKeySOPOGOIFAHUOAP-UHFFFAOYSA-N
MW471.54 g/mol
LogP1.53
Rot. Bonds7

About N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide

N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (PubChem CID 4526394) has the molecular formula C23H25N3O6S and a molecular weight of 471.54 g/mol. Its IUPAC name is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
PubChem CID4526394
Molecular FormulaC23H25N3O6S
Molecular Weight471.54 g/mol
Exact Mass471.15
IUPAC NameN-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2c1
InChIInChI=1S/C23H25N3O6S/c1-31-19-5-2-17-14-18(23(28)25-21(17)15-19)8-9-24-22(27)16-3-6-20(7-4-16)33(29,30)26-10-12-32-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27)(H,25,28)
InChIKeySOPOGOIFAHUOAP-UHFFFAOYSA-N
XLogP1.53
TPSA117.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide (CID 4526394) is N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is COc1ccc2cc(CCNC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SOPOGOIFAHUOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6S/c1-31-19-5-2-17-14-18(23(28)25-21(17)15-19)8-9-24-22(27)16-3-6-20(7-4-16)33(29,30)26-10-12-32-13-11-26/h2-7,14-15H,8-13H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide?
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide has a molecular weight of 471.54 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 4526394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).