N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide

C26H23FN4O4S — CID 3580705

IUPACN-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C26H23FN4O4S/c27-19-6-4-18(5-7-19)17-29-26(32)22-16-25(24-3-1-2-10-28-24)30-23-9-8-20(15-21(22)23)36(33,34)31-11-13-35-14-12-31/h1-10,15-16H,11-14,17H2,(H,29,32)
InChIKeyIKRLNPVKWUPCEX-UHFFFAOYSA-N
MW506.56 g/mol
LogP3.39
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide

N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide (PubChem CID 3580705) has the molecular formula C26H23FN4O4S and a molecular weight of 506.56 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
PubChem CID3580705
Molecular FormulaC26H23FN4O4S
Molecular Weight506.56 g/mol
Exact Mass506.14
IUPAC NameN-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12
InChIInChI=1S/C26H23FN4O4S/c27-19-6-4-18(5-7-19)17-29-26(32)22-16-25(24-3-1-2-10-28-24)30-23-9-8-20(15-21(22)23)36(33,34)31-11-13-35-14-12-31/h1-10,15-16H,11-14,17H2,(H,29,32)
InChIKeyIKRLNPVKWUPCEX-UHFFFAOYSA-N
XLogP3.39
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.56
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide (CID 3580705) is N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(-c2ccccn2)nc2ccc(S(=O)(=O)N3CCOCC3)cc12.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
The InChIKey is IKRLNPVKWUPCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN4O4S/c27-19-6-4-18(5-7-19)17-29-26(32)22-16-25(24-3-1-2-10-28-24)30-23-9-8-20(15-21(22)23)36(33,34)31-11-13-35-14-12-31/h1-10,15-16H,11-14,17H2,(H,29,32).
What are the key properties of N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide?
N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide has a molecular weight of 506.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-6-morpholin-4-ylsulfonyl-2-pyridin-2-ylquinoline-4-carboxamide is sourced from PubChem (CID 3580705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).