2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one

C137H107N19O8S3 — CID 158623389

IUPAC2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(C=Cc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCC2=CC(c3ccccc3)=NC2)nc2ccccc12.O=c1[nH]c(CCc2cc(-c3ccccc3)no2)nc2ccccc12.O=c1[nH]c(CCc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCn2cnc(-c3ccccc3)c2)nc2ccccc12.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1
InChIInChI=1S/C20H17N3O.C20H16N2OS.2C20H14N2OS.C19H16N4O.C19H15N3O2.C19H15N3O/c24-20-16-8-4-5-9-17(16)22-19(23-20)11-10-14-12-18(21-13-14)15-6-2-1-3-7-15;3*23-20-16-8-4-5-9-17(16)21-19(22-20)13-11-15-10-12-18(24-15)14-6-2-1-3-7-14;24-19-15-8-4-5-9-16(15)21-18(22-19)10-11-23-12-17(20-13-23)14-6-2-1-3-7-14;23-19-15-8-4-5-9-16(15)20-18(21-19)11-10-14-12-17(22-24-14)13-6-2-1-3-7-13;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-9,12H,10-11,13H2,(H,22,23,24);1-10,12H,11,13H2,(H,21,22,23);2*1-13H,(H,21,22,23);1-9,12-13H,10-11H2,(H,21,22,24);1-9,12H,10-11H2,(H,20,21,23);1-9,12-13H,10-11H2/b;;13-11+;;;;
InChIKeyHYGXGRHGUBQDKM-XQCZRQRKSA-N
MW2243.69 g/mol
LogP27.83
Rot. Bonds26

About 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one

2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one (PubChem CID 158623389) has the molecular formula C137H107N19O8S3 and a molecular weight of 2243.69 g/mol. Its IUPAC name is 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one
PubChem CID158623389
Molecular FormulaC137H107N19O8S3
Molecular Weight2243.69 g/mol
Exact Mass2241.77
IUPAC Name2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(/C=C/c2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(C=Cc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCC2=CC(c3ccccc3)=NC2)nc2ccccc12.O=c1[nH]c(CCc2cc(-c3ccccc3)no2)nc2ccccc12.O=c1[nH]c(CCc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCn2cnc(-c3ccccc3)c2)nc2ccccc12.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1
InChIInChI=1S/C20H17N3O.C20H16N2OS.2C20H14N2OS.C19H16N4O.C19H15N3O2.C19H15N3O/c24-20-16-8-4-5-9-17(16)22-19(23-20)11-10-14-12-18(21-13-14)15-6-2-1-3-7-15;3*23-20-16-8-4-5-9-17(16)21-19(22-20)13-11-15-10-12-18(24-15)14-6-2-1-3-7-14;24-19-15-8-4-5-9-16(15)21-18(22-19)10-11-23-12-17(20-13-23)14-6-2-1-3-7-14;23-19-15-8-4-5-9-16(15)20-18(21-19)11-10-14-12-17(22-24-14)13-6-2-1-3-7-13;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-9,12H,10-11,13H2,(H,22,23,24);1-10,12H,11,13H2,(H,21,22,23);2*1-13H,(H,21,22,23);1-9,12-13H,10-11H2,(H,21,22,24);1-9,12H,10-11H2,(H,20,21,23);1-9,12-13H,10-11H2/b;;13-11+;;;;
InChIKeyHYGXGRHGUBQDKM-XQCZRQRKSA-N
XLogP27.83
TPSA382.52 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002243.69
LogP ≤ 527.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Analyze 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one?
The IUPAC name of 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one (CID 158623389) is 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one is O=c1[nH]c(/C=C/c2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(C=Cc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCC2=CC(c3ccccc3)=NC2)nc2ccccc12.O=c1[nH]c(CCc2cc(-c3ccccc3)no2)nc2ccccc12.O=c1[nH]c(CCc2ccc(-c3ccccc3)s2)nc2ccccc12.O=c1[nH]c(CCn2cnc(-c3ccccc3)c2)nc2ccccc12.c1ccc(-c2ncc(CCc3cnc4ccccc4n3)o2)cc1.
What is the InChIKey of 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one?
The InChIKey is HYGXGRHGUBQDKM-XQCZRQRKSA-N. The full InChI is InChI=1S/C20H17N3O.C20H16N2OS.2C20H14N2OS.C19H16N4O.C19H15N3O2.C19H15N3O/c24-20-16-8-4-5-9-17(16)22-19(23-20)11-10-14-12-18(21-13-14)15-6-2-1-3-7-15;3*23-20-16-8-4-5-9-17(16)21-19(22-20)13-11-15-10-12-18(24-15)14-6-2-1-3-7-14;24-19-15-8-4-5-9-16(15)21-18(22-19)10-11-23-12-17(20-13-23)14-6-2-1-3-7-14;23-19-15-8-4-5-9-16(15)20-18(21-19)11-10-14-12-17(22-24-14)13-6-2-1-3-7-13;1-2-6-14(7-3-1)19-21-13-16(23-19)11-10-15-12-20-17-8-4-5-9-18(17)22-15/h1-9,12H,10-11,13H2,(H,22,23,24);1-10,12H,11,13H2,(H,21,22,23);2*1-13H,(H,21,22,23);1-9,12-13H,10-11H2,(H,21,22,24);1-9,12H,10-11H2,(H,20,21,23);1-9,12-13H,10-11H2/b;;13-11+;;;;.
What are the key properties of 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one?
2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one has a molecular weight of 2243.69 g/mol, XLogP of 27.83, 26 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-phenylimidazol-1-yl)ethyl]-3H-quinazolin-4-one;2-[2-(3-phenyl-1,2-oxazol-5-yl)ethyl]-3H-quinazolin-4-one;2-[2-(5-phenyl-2H-pyrrol-3-yl)ethyl]-3H-quinazolin-4-one;2-phenyl-5-(2-quinoxalin-2-ylethyl)-1,3-oxazole;2-[2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]-3H-quinazolin-4-one;2-[2-(5-phenylthiophen-2-yl)ethyl]-3H-quinazolin-4-one is sourced from PubChem (CID 158623389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).