N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C31H27F2N5O4S — CID 66806967

IUPACN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C31H27F2N5O4S/c1-41-31-28(37-43(39,40)29-9-5-23(32)17-26(29)33)16-22(18-35-31)20-4-8-27-21(14-20)15-25(30(34)36-27)19-2-6-24(7-3-19)38-10-12-42-13-11-38/h2-9,14-18,37H,10-13H2,1H3,(H2,34,36)
InChIKeyFFFQPROXASWICG-UHFFFAOYSA-N
MW603.65 g/mol
LogP5.47
Rot. Bonds7

About N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66806967) has the molecular formula C31H27F2N5O4S and a molecular weight of 603.65 g/mol. Its IUPAC name is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID66806967
Molecular FormulaC31H27F2N5O4S
Molecular Weight603.65 g/mol
Exact Mass603.18
IUPAC NameN-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C31H27F2N5O4S/c1-41-31-28(37-43(39,40)29-9-5-23(32)17-26(29)33)16-22(18-35-31)20-4-8-27-21(14-20)15-25(30(34)36-27)19-2-6-24(7-3-19)38-10-12-42-13-11-38/h2-9,14-18,37H,10-13H2,1H3,(H2,34,36)
InChIKeyFFFQPROXASWICG-UHFFFAOYSA-N
XLogP5.47
TPSA119.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.65
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

CID 25167777
CID 25167777
CID 135197617
CID 135197617
CID 58441681
CID 58441681
CID 74539045
CID 74539045
CID 74539799
CID 74539799
CID 74539862
CID 74539862
CID 118352671
CID 118352671
CID 135197572
CID 135197572
CID 135197577
CID 135197577
CID 135197578
CID 135197578
CID 135197593
CID 135197593
CID 135197611
CID 135197611

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66806967) is N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is FFFQPROXASWICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F2N5O4S/c1-41-31-28(37-43(39,40)29-9-5-23(32)17-26(29)33)16-22(18-35-31)20-4-8-27-21(14-20)15-25(30(34)36-27)19-2-6-24(7-3-19)38-10-12-42-13-11-38/h2-9,14-18,37H,10-13H2,1H3,(H2,34,36).
What are the key properties of N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 603.65 g/mol, XLogP of 5.47, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-3-(4-morpholin-4-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66806967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).