6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one

C21H15Cl2N5OS — CID 10204594

IUPAC6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one
SMILESCN1CCN=C1c1csc(-c2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cn2)c1
InChIInChI=1S/C21H15Cl2N5OS/c1-27-7-6-24-19(27)12-8-17(30-11-12)20-26-16-4-2-13(22)9-15(16)21(29)28(20)18-5-3-14(23)10-25-18/h2-5,8-11H,6-7H2,1H3
InChIKeyUXDXMDLKUSHCLS-UHFFFAOYSA-N
MW456.36 g/mol
LogP4.51
Rot. Bonds3

About 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one

6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one (PubChem CID 10204594) has the molecular formula C21H15Cl2N5OS and a molecular weight of 456.36 g/mol. Its IUPAC name is 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one
PubChem CID10204594
Molecular FormulaC21H15Cl2N5OS
Molecular Weight456.36 g/mol
Exact Mass455.04
IUPAC Name6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one
SMILESCN1CCN=C1c1csc(-c2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cn2)c1
InChIInChI=1S/C21H15Cl2N5OS/c1-27-7-6-24-19(27)12-8-17(30-11-12)20-26-16-4-2-13(22)9-15(16)21(29)28(20)18-5-3-14(23)10-25-18/h2-5,8-11H,6-7H2,1H3
InChIKeyUXDXMDLKUSHCLS-UHFFFAOYSA-N
XLogP4.51
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.36
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[6-chloro-3-(5-chloro-2-pyridinyl)-4-oxoquinazolin-2-yl]-N-methyl-N-propylthiophene-3-carboximidamide
CID 10183796
3-(5-chloro-2-pyridinyl)-6-methoxy-2-[4-(2-oxopiperidin-1-yl)phenyl]quinazolin-4-one
CID 22240489
3-(5-chloro-2-pyridinyl)-2-[4-(1-methylpyrrol-2-yl)phenyl]quinazolin-4-one
CID 10070304
3-(5-chloro-2-pyridinyl)-2-[4-(2-oxoimidazolidin-1-yl)phenyl]quinazolin-4-one
CID 10093442
2,3-dimethyl-7-(1-methyl-4,5-dihydroimidazol-2-yl)quinazolin-4-one
CID 20799410
3-(5-chloro-2-pyridinyl)-2-[4-[1-[2-(ethylamino)ethyl]pyrrol-2-yl]phenyl]quinazolin-4-one
CID 10050373
5-chloro-N-(5-chloro-2-pyridinyl)-2-[2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-2-oxoethyl]benzamide
CID 148805295
6-chloro-1-methylpyrido[2,3-b]indole
CID 15135768
6-chloro-3-hydroxy-2-(4-methylphenyl)quinazolin-4-one
CID 4538652
6-chloro-3-[2-(diethylamino)ethyl]-2-(4-methylphenyl)quinazolin-4-one
CID 22484661
6-chloro-2-(2-chloro-3-pyridinyl)-3-methylquinazolin-4-one
CID 141476314
3-(3-bromophenyl)-6-chloro-2-methylquinazolin-4-one
CID 823527

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one?
The IUPAC name of 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one (CID 10204594) is 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one.
What is the SMILES notation for 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one?
The canonical SMILES for 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one is CN1CCN=C1c1csc(-c2nc3ccc(Cl)cc3c(=O)n2-c2ccc(Cl)cn2)c1.
What is the InChIKey of 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one?
The InChIKey is UXDXMDLKUSHCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2N5OS/c1-27-7-6-24-19(27)12-8-17(30-11-12)20-26-16-4-2-13(22)9-15(16)21(29)28(20)18-5-3-14(23)10-25-18/h2-5,8-11H,6-7H2,1H3.
What are the key properties of 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one?
6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one has a molecular weight of 456.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(5-chloro-2-pyridinyl)-2-[4-(1-methyl-4,5-dihydroimidazol-2-yl)thiophen-2-yl]quinazolin-4-one is sourced from PubChem (CID 10204594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).