N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine

C22H26N4O2S — CID 133296098

IUPACN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C22H26N4O2S/c1-29(27,28)16-15-26-13-11-18(12-14-26)23-22-24-20-10-6-5-9-19(20)21(25-22)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,24,25)
InChIKeyLXIMUZCVDYPSGO-UHFFFAOYSA-N
MW410.54 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine

N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine (PubChem CID 133296098) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine
PubChem CID133296098
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine
SMILESCS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1
InChIInChI=1S/C22H26N4O2S/c1-29(27,28)16-15-26-13-11-18(12-14-26)23-22-24-20-10-6-5-9-19(20)21(25-22)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,24,25)
InChIKeyLXIMUZCVDYPSGO-UHFFFAOYSA-N
XLogP3.22
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[1-(2-methylsulfonylethyl)piperidin-4-yl]amino]-3H-quinazolin-4-one
CID 137268392
2-phenyl-1-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]ethanone
CID 25071133
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133321526
4-methyl-2-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]quinazoline
CID 75434455
1-(1-methylpyrazol-4-yl)-3-[(4-phenylquinazolin-2-yl)amino]pyrrolidin-2-one
CID 133306428
N-[(1S)-1-cyclohexylethyl]-3-[[4-(2-methylsulfonylethyl)piperazin-1-yl]methyl]-2-phenylquinoline-4-carboxamide
CID 10303190
6-[4-[(4-phenylquinazolin-2-yl)amino]piperidin-1-yl]pyridine-3-carbonitrile
CID 133286801
6-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-2-(3-nitrophenyl)pyrimidin-4-amine
CID 133296105
8-methoxy-2-methyl-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]quinolin-4-amine
CID 133388731
3-(3-chlorophenyl)-N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133296011
N-(2-cyclopropyloxan-4-yl)-4-phenylquinazolin-2-amine
CID 133473601
2-[3-[1-[3-[(4-phenylquinazolin-2-yl)amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 90928861

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine?
The IUPAC name of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine (CID 133296098) is N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine.
What is the SMILES notation for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine?
The canonical SMILES for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine is CS(=O)(=O)CCN1CCC(Nc2nc(-c3ccccc3)c3ccccc3n2)CC1.
What is the InChIKey of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine?
The InChIKey is LXIMUZCVDYPSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-29(27,28)16-15-26-13-11-18(12-14-26)23-22-24-20-10-6-5-9-19(20)21(25-22)17-7-3-2-4-8-17/h2-10,18H,11-16H2,1H3,(H,23,24,25).
What are the key properties of N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine?
N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine has a molecular weight of 410.54 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylethyl)piperidin-4-yl]-4-phenylquinazolin-2-amine is sourced from PubChem (CID 133296098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).