(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one

C20H18N2OS — CID 9007199

IUPAC(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccsc2)N1CCc1ccccc1
InChIInChI=1S/C20H18N2OS/c23-20-17-8-4-5-9-18(17)21-19(16-11-13-24-14-16)22(20)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,21H,10,12H2/t19-/m0/s1
InChIKeyDLQAJYWOUIONRG-IBGZPJMESA-N
MW334.44 g/mol
LogP4.56
Rot. Bonds4

About (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one

(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (PubChem CID 9007199) has the molecular formula C20H18N2OS and a molecular weight of 334.44 g/mol. Its IUPAC name is (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.

Molecular Properties

Compound Name(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
PubChem CID9007199
Molecular FormulaC20H18N2OS
Molecular Weight334.44 g/mol
Exact Mass334.11
IUPAC Name(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one
SMILESO=C1c2ccccc2N[C@H](c2ccsc2)N1CCc1ccccc1
InChIInChI=1S/C20H18N2OS/c23-20-17-8-4-5-9-18(17)21-19(16-11-13-24-14-16)22(20)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,21H,10,12H2/t19-/m0/s1
InChIKeyDLQAJYWOUIONRG-IBGZPJMESA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The IUPAC name of (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one (CID 9007199) is (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one.
What is the SMILES notation for (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The canonical SMILES for (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is O=C1c2ccccc2N[C@H](c2ccsc2)N1CCc1ccccc1.
What is the InChIKey of (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
The InChIKey is DLQAJYWOUIONRG-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18N2OS/c23-20-17-8-4-5-9-18(17)21-19(16-11-13-24-14-16)22(20)12-10-15-6-2-1-3-7-15/h1-9,11,13-14,19,21H,10,12H2/t19-/m0/s1.
What are the key properties of (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one?
(2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one has a molecular weight of 334.44 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(2-phenylethyl)-2-thiophen-3-yl-1,2-dihydroquinazolin-4-one is sourced from PubChem (CID 9007199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).