N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

C25H21ClN4O4S — CID 4064436

IUPACN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H21ClN4O4S/c26-20-9-8-17(15-24(20)35(32,33)30-11-13-34-14-12-30)28-25(31)19-16-23(22-7-3-4-10-27-22)29-21-6-2-1-5-18(19)21/h1-10,15-16H,11-14H2,(H,28,31)
InChIKeyQHIMQWUFHXDTMZ-UHFFFAOYSA-N
MW508.99 g/mol
LogP4.22
Rot. Bonds5

About N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide

N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 4064436) has the molecular formula C25H21ClN4O4S and a molecular weight of 508.99 g/mol. Its IUPAC name is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID4064436
Molecular FormulaC25H21ClN4O4S
Molecular Weight508.99 g/mol
Exact Mass508.10
IUPAC NameN-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C25H21ClN4O4S/c26-20-9-8-17(15-24(20)35(32,33)30-11-13-34-14-12-30)28-25(31)19-16-23(22-7-3-4-10-27-22)29-21-6-2-1-5-18(19)21/h1-10,15-16H,11-14H2,(H,28,31)
InChIKeyQHIMQWUFHXDTMZ-UHFFFAOYSA-N
XLogP4.22
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.99
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide (CID 4064436) is N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is QHIMQWUFHXDTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClN4O4S/c26-20-9-8-17(15-24(20)35(32,33)30-11-13-34-14-12-30)28-25(31)19-16-23(22-7-3-4-10-27-22)29-21-6-2-1-5-18(19)21/h1-10,15-16H,11-14H2,(H,28,31).
What are the key properties of N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide?
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 508.99 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 4064436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).