N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine

C19H20N4O3S — CID 71908152

IUPACN-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(Nc3ncnc4cccc(C)c34)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-3-5-17-18(13)19(21-12-20-17)22-14-10-23(11-14)27(24,25)16-8-6-15(26-2)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21,22)
InChIKeyARGYOQZSMURIIE-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.43
Rot. Bonds5

About N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine

N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine (PubChem CID 71908152) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
PubChem CID71908152
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine
SMILESCOc1ccc(S(=O)(=O)N2CC(Nc3ncnc4cccc(C)c34)C2)cc1
InChIInChI=1S/C19H20N4O3S/c1-13-4-3-5-17-18(13)19(21-12-20-17)22-14-10-23(11-14)27(24,25)16-8-6-15(26-2)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21,22)
InChIKeyARGYOQZSMURIIE-UHFFFAOYSA-N
XLogP2.43
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]quinazolin-4-amine
CID 78901348
6-[[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]amino]pyrimidine-4-carboxamide
CID 167819953
N-[(6S)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-6-yl]-5-methylquinazolin-4-amine
CID 171359867
(3R)-1-(4-methoxyphenyl)sulfonyl-N-phenylpyrrolidin-3-amine
CID 52872809
N-[(1R)-1-cyclopropylethyl]-1-(4-methoxyphenyl)sulfonylazetidin-3-amine
CID 99833771
4-(4-methoxyphenyl)sulfonyl-2,6-dimethylmorpholine
CID 2851611
6-tert-butyl-N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 75391356
(3R,4S)-3-(4-methoxyphenyl)-1-(4-methylphenyl)sulfonyl-4-phenylpyrrolidine
CID 102182418
4-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyrimidine
CID 108781304
N-[4-[(3R,5S)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-4-methoxybenzenesulfonamide
CID 27528641
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133377878
ethyl N-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]carbamate
CID 94638463

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?
The IUPAC name of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine (CID 71908152) is N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?
The canonical SMILES for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine is COc1ccc(S(=O)(=O)N2CC(Nc3ncnc4cccc(C)c34)C2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?
The InChIKey is ARGYOQZSMURIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-4-3-5-17-18(13)19(21-12-20-17)22-14-10-23(11-14)27(24,25)16-8-6-15(26-2)7-9-16/h3-9,12,14H,10-11H2,1-2H3,(H,20,21,22).
What are the key properties of N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine?
N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine has a molecular weight of 384.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)sulfonylazetidin-3-yl]-5-methylquinazolin-4-amine is sourced from PubChem (CID 71908152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).