N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide

C19H15BrN6O2S — CID 121416216

IUPACN-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2cncc(Nc3ncnc4ccc(Br)cc34)c2)c1
InChIInChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-5-13(8-22-10-16)12-4-15(9-21-7-12)25-19-17-6-14(20)2-3-18(17)23-11-24-19/h2-11,26H,1H3,(H,23,24,25)
InChIKeyGTGIMSZTWVSALF-UHFFFAOYSA-N
MW471.34 g/mol
LogP3.96
Rot. Bonds5

About N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide

N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide (PubChem CID 121416216) has the molecular formula C19H15BrN6O2S and a molecular weight of 471.34 g/mol. Its IUPAC name is N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
PubChem CID121416216
Molecular FormulaC19H15BrN6O2S
Molecular Weight471.34 g/mol
Exact Mass470.02
IUPAC NameN-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cncc(-c2cncc(Nc3ncnc4ccc(Br)cc34)c2)c1
InChIInChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-5-13(8-22-10-16)12-4-15(9-21-7-12)25-19-17-6-14(20)2-3-18(17)23-11-24-19/h2-11,26H,1H3,(H,23,24,25)
InChIKeyGTGIMSZTWVSALF-UHFFFAOYSA-N
XLogP3.96
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide with MolForge

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Related Compounds

N-[5-[4-(3-chloro-4-fluoroanilino)pyrido[3,2-d]pyrimidin-6-yl]-3-pyridinyl]methanesulfonamide
CID 137370841
6-bromo-N-(1-tert-butylpyrazol-4-yl)quinazolin-4-amine
CID 86946152
1-[4-[(6-bromoquinazolin-4-yl)amino]phenyl]ethanone
CID 702723
1-[4-(3-chloro-4-fluoroanilino)-6-[5-(methanesulfonamido)-3-pyridinyl]quinazolin-3-ium-3-yl]-N-[5-[4-(3-ethynylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 155713828
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
N-[2-chloro-5-[4-(3-chloro-4-methylanilino)quinazolin-6-yl]phenyl]methanesulfonamide
CID 158691583
N-[2-chloro-5-[4-(4-fluoro-3-methylanilino)quinazolin-6-yl]-3-pyridinyl]methanesulfonamide
CID 164978282
6-bromo-N-[4-[(E)-2-phenylethenyl]phenyl]quinazolin-4-amine
CID 53482314
N-[3-(4-anilinopyrimidin-5-yl)phenyl]methanesulfonamide
CID 3233458
6-bromo-N-(3-chloro-4-methoxyphenyl)quinazolin-4-amine
CID 121416177
ethane;N-(5-methyl-3-pyridinyl)methanesulfonamide
CID 143921222

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide (CID 121416216) is N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide is CS(=O)(=O)Nc1cncc(-c2cncc(Nc3ncnc4ccc(Br)cc34)c2)c1.
What is the InChIKey of N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide?
The InChIKey is GTGIMSZTWVSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN6O2S/c1-29(27,28)26-16-5-13(8-22-10-16)12-4-15(9-21-7-12)25-19-17-6-14(20)2-3-18(17)23-11-24-19/h2-11,26H,1H3,(H,23,24,25).
What are the key properties of N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide?
N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide has a molecular weight of 471.34 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(6-bromoquinazolin-4-yl)amino]-3-pyridinyl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 121416216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).