6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide

C29H17ClFN5O4S — CID 137438296

IUPAC6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cn1)c1cc(=O)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C29H17ClFN5O4S/c30-22-12-18(11-17-7-4-10-32-27(17)22)20-13-21-24(37)14-23(34-28(21)35-26(20)16-5-2-1-3-6-16)29(38)36-41(39,40)25-9-8-19(31)15-33-25/h1-15H,(H,36,38)(H,34,35,37)
InChIKeyFAZJVEFEPQMJHR-UHFFFAOYSA-N
MW586.00 g/mol
LogP5.11
Rot. Bonds5

About 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide

6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide (PubChem CID 137438296) has the molecular formula C29H17ClFN5O4S and a molecular weight of 586.00 g/mol. Its IUPAC name is 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide
PubChem CID137438296
Molecular FormulaC29H17ClFN5O4S
Molecular Weight586.00 g/mol
Exact Mass585.07
IUPAC Name6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(F)cn1)c1cc(=O)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1
InChIInChI=1S/C29H17ClFN5O4S/c30-22-12-18(11-17-7-4-10-32-27(17)22)20-13-21-24(37)14-23(34-28(21)35-26(20)16-5-2-1-3-6-16)29(38)36-41(39,40)25-9-8-19(31)15-33-25/h1-15H,(H,36,38)(H,34,35,37)
InChIKeyFAZJVEFEPQMJHR-UHFFFAOYSA-N
XLogP5.11
TPSA134.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.00
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The IUPAC name of 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide (CID 137438296) is 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide is O=C(NS(=O)(=O)c1ccc(F)cn1)c1cc(=O)c2cc(-c3cc(Cl)c4ncccc4c3)c(-c3ccccc3)nc2[nH]1.
What is the InChIKey of 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
The InChIKey is FAZJVEFEPQMJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17ClFN5O4S/c30-22-12-18(11-17-7-4-10-32-27(17)22)20-13-21-24(37)14-23(34-28(21)35-26(20)16-5-2-1-3-6-16)29(38)36-41(39,40)25-9-8-19(31)15-33-25/h1-15H,(H,36,38)(H,34,35,37).
What are the key properties of 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide?
6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide has a molecular weight of 586.00 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(8-chloroquinolin-6-yl)-N-[(5-fluoro-2-pyridinyl)sulfonyl]-4-oxo-7-phenyl-1H-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 137438296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).