N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine

C26H26N4O2S — CID 71495440

IUPACN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H26N4O2S/c1-19-14-15-21(18-24(19)33(31,32)30-16-8-3-9-17-30)27-26-22-12-6-7-13-23(22)28-25(29-26)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,27,28,29)
InChIKeyDITSCZOGKDKNKW-UHFFFAOYSA-N
MW458.59 g/mol
LogP5.52
Rot. Bonds5

About N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine

N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine (PubChem CID 71495440) has the molecular formula C26H26N4O2S and a molecular weight of 458.59 g/mol. Its IUPAC name is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine.

Molecular Properties

Compound NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine
PubChem CID71495440
Molecular FormulaC26H26N4O2S
Molecular Weight458.59 g/mol
Exact Mass458.18
IUPAC NameN-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C26H26N4O2S/c1-19-14-15-21(18-24(19)33(31,32)30-16-8-3-9-17-30)27-26-22-12-6-7-13-23(22)28-25(29-26)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,27,28,29)
InChIKeyDITSCZOGKDKNKW-UHFFFAOYSA-N
XLogP5.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.59
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3H-quinazolin-4-one
CID 135413659
N-(3,4-dimethylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963225
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5030956
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)quinoline-5-carboxamide
CID 32739299
3-[(2-phenylquinazolin-4-yl)amino]benzoic acid;hydrochloride
CID 2894714
2-phenyl-N-(2-piperidin-1-ylethyl)quinazolin-4-amine
CID 66901625
N-[4-(2-methylsulfonylethyl)phenyl]-2-phenylquinazolin-4-amine
CID 133398069
N-(3-fluoro-4-methylphenyl)-2-(4-methoxyphenyl)quinazolin-4-amine
CID 20963104
2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 16542611
6-bromo-N-(3,4-dimethylphenyl)-2-phenylquinazolin-4-amine
CID 23909624
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine?
The IUPAC name of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine (CID 71495440) is N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine.
What is the SMILES notation for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine?
The canonical SMILES for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine is Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine?
The InChIKey is DITSCZOGKDKNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2S/c1-19-14-15-21(18-24(19)33(31,32)30-16-8-3-9-17-30)27-26-22-12-6-7-13-23(22)28-25(29-26)20-10-4-2-5-11-20/h2,4-7,10-15,18H,3,8-9,16-17H2,1H3,(H,27,28,29).
What are the key properties of N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine?
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine has a molecular weight of 458.59 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-phenylquinazolin-4-amine is sourced from PubChem (CID 71495440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).