N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine

C21H18N4OS — CID 71274519

IUPACN-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(S(C)=O)c3)cc12
InChIInChI=1S/C21H18N4OS/c1-22-21-18-12-15(14-5-3-7-17(11-14)27(2)26)8-9-19(18)24-20(25-21)16-6-4-10-23-13-16/h3-13H,1-2H3,(H,22,24,25)
InChIKeyCBMWGOSOTXQZNX-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.14
Rot. Bonds4

About N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine

N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine (PubChem CID 71274519) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
PubChem CID71274519
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC NameN-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine
SMILESCNc1nc(-c2cccnc2)nc2ccc(-c3cccc(S(C)=O)c3)cc12
InChIInChI=1S/C21H18N4OS/c1-22-21-18-12-15(14-5-3-7-17(11-14)27(2)26)8-9-19(18)24-20(25-21)16-6-4-10-23-13-16/h3-13H,1-2H3,(H,22,24,25)
InChIKeyCBMWGOSOTXQZNX-UHFFFAOYSA-N
XLogP4.14
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-(4-methylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180199
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]phenol
CID 67297993
N-methyl-6-(3-nitrophenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 89347896
6-(3-fluoro-4-iodophenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 122494265
6-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71274599
6-(5-methoxy-3-pyridinyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179842
N,6-dimethyl-2-pyridin-3-ylquinazolin-4-amine;ethane
CID 144500540
6-(3-fluoro-5-methoxyphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71179890
N-methyl-6-(2-prop-1-en-2-ylphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 135128099
N-methyl-6-(4-propoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71179891
6-(2-fluoro-4-methylsulfonylphenyl)-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180643
3-[4-(methylamino)-2-pyridin-3-ylquinazolin-6-yl]-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 71499197

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The IUPAC name of N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine (CID 71274519) is N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The canonical SMILES for N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine is CNc1nc(-c2cccnc2)nc2ccc(-c3cccc(S(C)=O)c3)cc12.
What is the InChIKey of N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
The InChIKey is CBMWGOSOTXQZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-22-21-18-12-15(14-5-3-7-17(11-14)27(2)26)8-9-19(18)24-20(25-21)16-6-4-10-23-13-16/h3-13H,1-2H3,(H,22,24,25).
What are the key properties of N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine?
N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine has a molecular weight of 374.47 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-methylsulfinylphenyl)-2-pyridin-3-ylquinazolin-4-amine is sourced from PubChem (CID 71274519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).