N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide

C24H28N4O4S — CID 3677232

IUPACN-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H28N4O4S/c1-17(2)5-10-26-24(29)21-16-23(18-6-8-25-9-7-18)27-22-4-3-19(15-20(21)22)33(30,31)28-11-13-32-14-12-28/h3-4,6-9,15-17H,5,10-14H2,1-2H3,(H,26,29)
InChIKeyGBMKCXVVOWPVLC-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.09
Rot. Bonds7

About N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide

N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 3677232) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID3677232
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC NameN-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C24H28N4O4S/c1-17(2)5-10-26-24(29)21-16-23(18-6-8-25-9-7-18)27-22-4-3-19(15-20(21)22)33(30,31)28-11-13-32-14-12-28/h3-4,6-9,15-17H,5,10-14H2,1-2H3,(H,26,29)
InChIKeyGBMKCXVVOWPVLC-UHFFFAOYSA-N
XLogP3.09
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide (CID 3677232) is N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide is CC(C)CCNC(=O)c1cc(-c2ccncc2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is GBMKCXVVOWPVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17(2)5-10-26-24(29)21-16-23(18-6-8-25-9-7-18)27-22-4-3-19(15-20(21)22)33(30,31)28-11-13-32-14-12-28/h3-4,6-9,15-17H,5,10-14H2,1-2H3,(H,26,29).
What are the key properties of N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide?
N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-6-morpholin-4-ylsulfonyl-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 3677232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).