6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

C22H18ClN5O2S — CID 87597530

IUPAC6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccnc1Cl)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C22H18ClN5O2S/c23-21-20(6-3-9-24-21)31(29,30)28-11-8-18-16(14-28)7-10-25-22(18)27-17-12-15-4-1-2-5-19(15)26-13-17/h1-7,9-10,12-13H,8,11,14H2,(H,25,27)
InChIKeySPNBQYCTALXIBL-UHFFFAOYSA-N
MW451.94 g/mol
LogP4.17
Rot. Bonds4

About 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine

6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (PubChem CID 87597530) has the molecular formula C22H18ClN5O2S and a molecular weight of 451.94 g/mol. Its IUPAC name is 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.

Molecular Properties

Compound Name6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
PubChem CID87597530
Molecular FormulaC22H18ClN5O2S
Molecular Weight451.94 g/mol
Exact Mass451.09
IUPAC Name6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
SMILESO=S(=O)(c1cccnc1Cl)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1
InChIInChI=1S/C22H18ClN5O2S/c23-21-20(6-3-9-24-21)31(29,30)28-11-8-18-16(14-28)7-10-25-22(18)27-17-12-15-4-1-2-5-19(15)26-13-17/h1-7,9-10,12-13H,8,11,14H2,(H,25,27)
InChIKeySPNBQYCTALXIBL-UHFFFAOYSA-N
XLogP4.17
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.94
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine with MolForge

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Related Compounds

6-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68880661
6-naphthalen-2-ylsulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68848416
6-(4-propan-2-ylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844408
4-chloro-2-methoxy-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
CID 68879283
6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643852
6-(5-methylthiophen-2-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68844013
6-(1-ethylpyrazol-4-yl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42643599
2-fluoro-5-[[5-(quinolin-3-ylamino)-3,4-dihydro-1H-2,6-naphthyridin-2-yl]sulfonyl]benzoic acid
CID 68879608
6-[(4-benzyl-1,2,5-oxadiazol-3-yl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 91295650
6-(4-methoxy-3-methylphenyl)sulfonyl-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68847177
N-quinolin-3-yl-6-[4-[4-(trifluoromethyl)phenoxy]phenyl]sulfonyl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 68845559
6-[(3-chlorophenyl)methyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine
CID 42644799

Frequently Asked Questions

What is the IUPAC name of 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The IUPAC name of 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine (CID 87597530) is 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine.
What is the SMILES notation for 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The canonical SMILES for 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is O=S(=O)(c1cccnc1Cl)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1.
What is the InChIKey of 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
The InChIKey is SPNBQYCTALXIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2S/c23-21-20(6-3-9-24-21)31(29,30)28-11-8-18-16(14-28)7-10-25-22(18)27-17-12-15-4-1-2-5-19(15)26-13-17/h1-7,9-10,12-13H,8,11,14H2,(H,25,27).
What are the key properties of 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine?
6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine has a molecular weight of 451.94 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-chloro-3-pyridinyl)sulfonyl]-N-quinolin-3-yl-7,8-dihydro-5H-2,6-naphthyridin-1-amine is sourced from PubChem (CID 87597530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).