1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine

C19H17N3S — CID 142682234

IUPAC1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine
SMILESc1ccc(N2CN=C(NCc3cccs3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3S/c1-2-7-15(8-3-1)22-14-21-19(17-10-4-5-11-18(17)22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChIKeyKIXZTBTWYZLSHY-UHFFFAOYSA-N
MW319.43 g/mol
LogP4.39
Rot. Bonds3

About 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine

1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine (PubChem CID 142682234) has the molecular formula C19H17N3S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine.

Molecular Properties

Compound Name1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine
PubChem CID142682234
Molecular FormulaC19H17N3S
Molecular Weight319.43 g/mol
Exact Mass319.11
IUPAC Name1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine
SMILESc1ccc(N2CN=C(NCc3cccs3)c3ccccc32)cc1
InChIInChI=1S/C19H17N3S/c1-2-7-15(8-3-1)22-14-21-19(17-10-4-5-11-18(17)22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21)
InChIKeyKIXZTBTWYZLSHY-UHFFFAOYSA-N
XLogP4.39
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine?
The IUPAC name of 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine (CID 142682234) is 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine.
What is the SMILES notation for 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine?
The canonical SMILES for 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine is c1ccc(N2CN=C(NCc3cccs3)c3ccccc32)cc1.
What is the InChIKey of 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine?
The InChIKey is KIXZTBTWYZLSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3S/c1-2-7-15(8-3-1)22-14-21-19(17-10-4-5-11-18(17)22)20-13-16-9-6-12-23-16/h1-12H,13-14H2,(H,20,21).
What are the key properties of 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine?
1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine has a molecular weight of 319.43 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(thiophen-2-ylmethyl)-2H-quinazolin-4-amine is sourced from PubChem (CID 142682234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).