N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

C23H20ClN5O3S — CID 134144337

IUPACN-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ncc(Cl)cn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H20ClN5O3S/c24-18-14-26-23(27-15-18)28-22-7-8-25-21-6-3-17(13-20(21)22)16-1-4-19(5-2-16)33(30,31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H,25,26,27,28)
InChIKeyQQORJONSENOSNM-UHFFFAOYSA-N
MW481.97 g/mol
LogP4.11
Rot. Bonds5

About N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine

N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (PubChem CID 134144337) has the molecular formula C23H20ClN5O3S and a molecular weight of 481.97 g/mol. Its IUPAC name is N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.

Molecular Properties

Compound NameN-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
PubChem CID134144337
Molecular FormulaC23H20ClN5O3S
Molecular Weight481.97 g/mol
Exact Mass481.10
IUPAC NameN-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine
SMILESO=S(=O)(c1ccc(-c2ccc3nccc(Nc4ncc(Cl)cn4)c3c2)cc1)N1CCOCC1
InChIInChI=1S/C23H20ClN5O3S/c24-18-14-26-23(27-15-18)28-22-7-8-25-21-6-3-17(13-20(21)22)16-1-4-19(5-2-16)33(30,31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H,25,26,27,28)
InChIKeyQQORJONSENOSNM-UHFFFAOYSA-N
XLogP4.11
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.97
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-{2-Chloro-5-[4-(Morpholin-4-Yl)quinolin-6-Yl]pyridin-3-Yl}-4-Fluorobenzenesulfonamide
CID 44608915
N-(4-{[(2-Methoxyethyl)amino]methyl}phenyl)-6-(Pyridin-4-Yl)quinazolin-2-Amine
CID 70702306
PI3K-IN-29
CID 163196401
N-(5-chloropyrimidin-2-yl)-7-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]quinolin-4-amine
CID 122196557
1-[4-(4-Morpholin-4-ylpyrido[3,2-d]pyrimidin-2-yl)phenyl]-3-(4-sulfamoylphenyl)urea
CID 137658961
N-[4-[1-(2-methoxyethylamino)ethyl]phenyl]-6-pyridin-4-ylquinazolin-2-amine
CID 24891646
3-(4-Morpholinylsulfonyl)-5-[4-(4-pyridinyl)-6-quinolinyl]-2-pyridinamine
CID 25121268
2-chloro-N-(3-morpholin-4-ylsulfonylphenyl)-5-phenylquinazolin-4-amine
CID 51030551
N-(3-morpholin-4-ylsulfonylphenyl)-5-phenyl-2-pyrimidin-5-ylquinazolin-4-amine
CID 68204939
4-[2-[(2-Pyridin-3-ylquinazolin-4-yl)amino]ethyl]benzenesulfonamide
CID 2465038
N-(2-morpholin-4-ylethyl)-6-pyridin-3-ylquinazolin-4-amine
CID 3234983
N-tert-butyl-4-(5-(5-chloropyridin-2-ylamino)quinolin-3-yl)benzenesulfonamide
CID 44444037

Frequently Asked Questions

What is the IUPAC name of N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The IUPAC name of N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine (CID 134144337) is N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine.
What is the SMILES notation for N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The canonical SMILES for N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is O=S(=O)(c1ccc(-c2ccc3nccc(Nc4ncc(Cl)cn4)c3c2)cc1)N1CCOCC1.
What is the InChIKey of N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
The InChIKey is QQORJONSENOSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O3S/c24-18-14-26-23(27-15-18)28-22-7-8-25-21-6-3-17(13-20(21)22)16-1-4-19(5-2-16)33(30,31)29-9-11-32-12-10-29/h1-8,13-15H,9-12H2,(H,25,26,27,28).
What are the key properties of N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine?
N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine has a molecular weight of 481.97 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloropyrimidin-2-yl)-6-(4-morpholin-4-ylsulfonylphenyl)quinolin-4-amine is sourced from PubChem (CID 134144337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).