N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine

C21H24N4O3S — CID 155524525

IUPACN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(S(=O)(=O)N4CCCCC4)cc23)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-17-7-5-16(6-8-17)14-22-21-19-13-18(9-10-20(19)23-15-24-21)29(26,27)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,22,23,24)
InChIKeyGBLLIRGYSNVIBY-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.43
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine

N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine (PubChem CID 155524525) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
PubChem CID155524525
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3ccc(S(=O)(=O)N4CCCCC4)cc23)cc1
InChIInChI=1S/C21H24N4O3S/c1-28-17-7-5-16(6-8-17)14-22-21-19-13-18(9-10-20(19)23-15-24-21)29(26,27)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,22,23,24)
InChIKeyGBLLIRGYSNVIBY-UHFFFAOYSA-N
XLogP3.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-methoxyphenyl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine
CID 9282043
2-(2-chloro-4-pyrrolidin-1-ylsulfonylphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 1250198
N-[(4-fluorophenyl)methyl]-6-methylsulfonylquinazolin-4-amine
CID 119045565
5-bromo-3-methyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133373024
2-[(4-methoxyphenyl)methylamino]-1-(3-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110824502
2-[4-[(4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875034
2-[4-(azepan-1-ylsulfonyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875081
1-[(4-methoxyphenyl)methyl]-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111181910
2-[5-(azepan-1-ylsulfonyl)indol-1-yl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 20919077
5-bromo-3-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyridin-2-amine
CID 133374222
N-[5-(azepan-1-ylsulfonyl)-2-methoxyphenyl]-2-(4-methoxyphenyl)acetamide
CID 4787017
(3S)-1-(4-methoxyphenyl)sulfonyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-3-carboxamide
CID 94861827

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine (CID 155524525) is N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine is COc1ccc(CNc2ncnc3ccc(S(=O)(=O)N4CCCCC4)cc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine?
The InChIKey is GBLLIRGYSNVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-28-17-7-5-16(6-8-17)14-22-21-19-13-18(9-10-20(19)23-15-24-21)29(26,27)25-11-3-2-4-12-25/h5-10,13,15H,2-4,11-12,14H2,1H3,(H,22,23,24).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine?
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine has a molecular weight of 412.52 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylsulfonylquinazolin-4-amine is sourced from PubChem (CID 155524525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).