6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine

C20H23N3O3S — CID 90871779

IUPAC6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine
SMILESCc1cc2c(NC(C)C)ncnc2cc1OCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H23N3O3S/c1-13(2)23-20-17-8-14(3)19(10-18(17)21-12-22-20)26-11-15-6-5-7-16(9-15)27(4,24)25/h5-10,12-13H,11H2,1-4H3,(H,21,22,23)
InChIKeyXLIFKPGONQSLPT-UHFFFAOYSA-N
MW385.49 g/mol
LogP3.74
Rot. Bonds6

About 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine

6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine (PubChem CID 90871779) has the molecular formula C20H23N3O3S and a molecular weight of 385.49 g/mol. Its IUPAC name is 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine
PubChem CID90871779
Molecular FormulaC20H23N3O3S
Molecular Weight385.49 g/mol
Exact Mass385.15
IUPAC Name6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine
SMILESCc1cc2c(NC(C)C)ncnc2cc1OCc1cccc(S(C)(=O)=O)c1
InChIInChI=1S/C20H23N3O3S/c1-13(2)23-20-17-8-14(3)19(10-18(17)21-12-22-20)26-11-15-6-5-7-16(9-15)27(4,24)25/h5-10,12-13H,11H2,1-4H3,(H,21,22,23)
InChIKeyXLIFKPGONQSLPT-UHFFFAOYSA-N
XLogP3.74
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-N-[[3-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methyl]-4-N-propan-2-ylquinazoline-4,7-diamine
CID 91424513
CID 87287293
CID 87287293
(2R)-3-(4-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]propan-1-ol
CID 124851919
7-[[3-(amino-ethylidene-oxo-λ6-sulfanyl)phenyl]methoxy]-N-cyclopropyl-6-methoxyquinazolin-4-amine
CID 91567277
7-[[3-(amino-methylidene-oxo-λ6-sulfanyl)phenyl]methoxy]-6-bromo-N-cyclopropylquinazolin-4-amine
CID 90882771
N-(4-bromo-2-fluorophenyl)-6-methyl-7-phenylmethoxyquinazolin-4-amine
CID 141288058
ethyl N-[[3-[[6-bromo-4-(2-hydroxyethylamino)quinazolin-7-yl]oxymethyl]phenyl]-methylidene-oxo-λ6-sulfanyl]carbamate
CID 90847692
N-[7-[[3-(ethylsulfonimidoyl)phenyl]methoxy]-6-methoxyquinazolin-4-yl]-2H-1,3-oxazol-3-amine
CID 87280710
(1S)-1-(3-methylphenyl)-2-[(6-methylsulfonylquinazolin-4-yl)amino]ethanol
CID 124743600
ethyl N-[[3-[[4-(3-cyanoanilino)-6-methoxyquinazolin-7-yl]oxymethyl]phenyl]-methylidene-oxo-λ6-sulfanyl]carbamate
CID 90990151
N-methyl-1-(3-methylsulfonylphenyl)methanamine
CID 58293040
2-(4-methyl-1H-pyrazol-5-yl)-5-[(3-methylsulfonylphenyl)methoxy]pyridine
CID 130360176

Frequently Asked Questions

What is the IUPAC name of 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine?
The IUPAC name of 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine (CID 90871779) is 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine?
The canonical SMILES for 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine is Cc1cc2c(NC(C)C)ncnc2cc1OCc1cccc(S(C)(=O)=O)c1.
What is the InChIKey of 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine?
The InChIKey is XLIFKPGONQSLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3S/c1-13(2)23-20-17-8-14(3)19(10-18(17)21-12-22-20)26-11-15-6-5-7-16(9-15)27(4,24)25/h5-10,12-13H,11H2,1-4H3,(H,21,22,23).
What are the key properties of 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine?
6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine has a molecular weight of 385.49 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-7-[(3-methylsulfonylphenyl)methoxy]-N-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 90871779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).