N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine

C20H19N3OS — CID 67117637

IUPACN-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(-c2ccc3ncnc(N(C)Cc4sccc4C)c3c2)o1
InChIInChI=1S/C20H19N3OS/c1-13-8-9-25-19(13)11-23(3)20-16-10-15(18-7-4-14(2)24-18)5-6-17(16)21-12-22-20/h4-10,12H,11H2,1-3H3
InChIKeyCZLQIJHOXMUFLD-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.20
Rot. Bonds4

About N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine

N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (PubChem CID 67117637) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
PubChem CID67117637
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccc(-c2ccc3ncnc(N(C)Cc4sccc4C)c3c2)o1
InChIInChI=1S/C20H19N3OS/c1-13-8-9-25-19(13)11-23(3)20-16-10-15(18-7-4-14(2)24-18)5-6-17(16)21-12-22-20/h4-10,12H,11H2,1-3H3
InChIKeyCZLQIJHOXMUFLD-UHFFFAOYSA-N
XLogP5.20
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.46
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (CID 67117637) is N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is Cc1ccc(-c2ccc3ncnc(N(C)Cc4sccc4C)c3c2)o1.
What is the InChIKey of N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The InChIKey is CZLQIJHOXMUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-8-9-25-19(13)11-23(3)20-16-10-15(18-7-4-14(2)24-18)5-6-17(16)21-12-22-20/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine has a molecular weight of 349.46 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(5-methylfuran-2-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 67117637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).