6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide

C24H26N4O5S — CID 3235833

IUPAC6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H26N4O5S/c29-24(26-16-18-2-1-11-33-18)21-15-23(17-5-7-25-8-6-17)27-22-4-3-19(14-20(21)22)34(30,31)28-9-12-32-13-10-28/h3-8,14-15,18H,1-2,9-13,16H2,(H,26,29)
InChIKeyJXNQOFHJKGORJD-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.23
Rot. Bonds6

About 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide

6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3235833) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3235833
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H26N4O5S/c29-24(26-16-18-2-1-11-33-18)21-15-23(17-5-7-25-8-6-17)27-22-4-3-19(14-20(21)22)34(30,31)28-9-12-32-13-10-28/h3-8,14-15,18H,1-2,9-13,16H2,(H,26,29)
InChIKeyJXNQOFHJKGORJD-UHFFFAOYSA-N
XLogP2.23
TPSA110.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide (CID 3235833) is 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JXNQOFHJKGORJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c29-24(26-16-18-2-1-11-33-18)21-15-23(17-5-7-25-8-6-17)27-22-4-3-19(14-20(21)22)34(30,31)28-9-12-32-13-10-28/h3-8,14-15,18H,1-2,9-13,16H2,(H,26,29).
What are the key properties of 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide?
6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3235833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).