4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide

C32H29FN4O4S — CID 74538980

IUPAC4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccc(CN5CCOCC5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C32H29FN4O4S/c1-40-32-31(36-42(38,39)27-9-7-26(33)8-10-27)19-25(20-35-32)24-6-11-30-29(18-24)28(12-13-34-30)23-4-2-22(3-5-23)21-37-14-16-41-17-15-37/h2-13,18-20,36H,14-17,21H2,1H3
InChIKeyAOECENYBLKURHP-UHFFFAOYSA-N
MW584.67 g/mol
LogP5.74
Rot. Bonds8

About 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide

4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide (PubChem CID 74538980) has the molecular formula C32H29FN4O4S and a molecular weight of 584.67 g/mol. Its IUPAC name is 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
PubChem CID74538980
Molecular FormulaC32H29FN4O4S
Molecular Weight584.67 g/mol
Exact Mass584.19
IUPAC Name4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nccc(-c4ccc(CN5CCOCC5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C32H29FN4O4S/c1-40-32-31(36-42(38,39)27-9-7-26(33)8-10-27)19-25(20-35-32)24-6-11-30-29(18-24)28(12-13-34-30)23-4-2-22(3-5-23)21-37-14-16-41-17-15-37/h2-13,18-20,36H,14-17,21H2,1H3
InChIKeyAOECENYBLKURHP-UHFFFAOYSA-N
XLogP5.74
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.67
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide with MolForge

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Related Compounds

Omipalisib
CID 25167777
N-[2-[2-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302563
2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 58441681
10,12-Difluoro-5-methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71041954
5-Methoxy-8,8-dioxo-8lambda6-thia-4,7,15,19,25-pentazahexacyclo[20.6.2.12,6.19,13.117,21.026,30]tritriaconta-1(29),2(33),3,5,9,11,13(32),17(31),18,20,22(30),23,25,27-tetradecaen-14-one
CID 71042022
4-fluoro-N-[2-methoxy-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539045
2,4-difluoro-N-[2-methoxy-5-[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539799
2,4-difluoro-N-[5-[4-[4-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]quinolin-6-yl]-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 74539862
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
N-[2-[4-[(4-tert-butylpiperazin-1-yl)methyl]-2-fluorophenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302620
N-[2-[3-fluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302651
N-[2-[2,3-difluoro-4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-4-pyridinyl]-2-methoxy-5-morpholin-4-ylpyridine-3-sulfonamide
CID 130302732

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide (CID 74538980) is 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nccc(-c4ccc(CN5CCOCC5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide?
The InChIKey is AOECENYBLKURHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN4O4S/c1-40-32-31(36-42(38,39)27-9-7-26(33)8-10-27)19-25(20-35-32)24-6-11-30-29(18-24)28(12-13-34-30)23-4-2-22(3-5-23)21-37-14-16-41-17-15-37/h2-13,18-20,36H,14-17,21H2,1H3.
What are the key properties of 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide?
4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide has a molecular weight of 584.67 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-methoxy-5-[4-[4-(morpholin-4-ylmethyl)phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 74538980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).