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

C20H19N3OS — CID 44968220

IUPACN-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3C)cc12
InChIInChI=1S/C20H19N3OS/c1-13-7-9-25-19(13)11-23(3)20-17-10-15(16-6-8-24-14(16)2)4-5-18(17)21-12-22-20/h4-10,12H,11H2,1-3H3
InChIKeyJLUPQIYYUNMBBJ-UHFFFAOYSA-N
MW349.46 g/mol
LogP5.20
Rot. Bonds4

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

N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (PubChem CID 44968220) has the molecular formula C20H19N3OS and a molecular weight of 349.46 g/mol. Its IUPAC name is N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
PubChem CID44968220
Molecular FormulaC20H19N3OS
Molecular Weight349.46 g/mol
Exact Mass349.12
IUPAC NameN-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3C)cc12
InChIInChI=1S/C20H19N3OS/c1-13-7-9-25-19(13)11-23(3)20-17-10-15(16-6-8-24-14(16)2)4-5-18(17)21-12-22-20/h4-10,12H,11H2,1-3H3
InChIKeyJLUPQIYYUNMBBJ-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-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (CID 44968220) is N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3C)cc12.
What is the InChIKey of N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The InChIKey is JLUPQIYYUNMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3OS/c1-13-7-9-25-19(13)11-23(3)20-17-10-15(16-6-8-24-14(16)2)4-5-18(17)21-12-22-20/h4-10,12H,11H2,1-3H3.
What are the key properties of N-methyl-6-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
N-methyl-6-(2-methylfuran-3-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-(2-methylfuran-3-yl)-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 44968220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).