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

C19H17N3OS — CID 44968224

IUPAC6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3)cc12
InChIInChI=1S/C19H17N3OS/c1-13-6-8-24-18(13)10-22(2)19-16-9-14(15-5-7-23-11-15)3-4-17(16)20-12-21-19/h3-9,11-12H,10H2,1-2H3
InChIKeyQASZHVBKEAXRMM-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.90
Rot. Bonds4

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

6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (PubChem CID 44968224) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
PubChem CID44968224
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine
SMILESCc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3)cc12
InChIInChI=1S/C19H17N3OS/c1-13-6-8-24-18(13)10-22(2)19-16-9-14(15-5-7-23-11-15)3-4-17(16)20-12-21-19/h3-9,11-12H,10H2,1-2H3
InChIKeyQASZHVBKEAXRMM-UHFFFAOYSA-N
XLogP4.90
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine (CID 44968224) is 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is Cc1ccsc1CN(C)c1ncnc2ccc(-c3ccoc3)cc12.
What is the InChIKey of 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
The InChIKey is QASZHVBKEAXRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-13-6-8-24-18(13)10-22(2)19-16-9-14(15-5-7-23-11-15)3-4-17(16)20-12-21-19/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine?
6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine has a molecular weight of 335.43 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-3-yl)-N-methyl-N-[(3-methylthiophen-2-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 44968224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).