6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

C14H10ClN3OS — CID 171358070

IUPAC6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccsc4)c3Cl)N=C2N1
InChIInChI=1S/C14H10ClN3OS/c15-13-9(8-3-4-20-7-8)1-2-11-10(13)5-18-6-12(19)17-14(18)16-11/h1-4,7H,5-6H2,(H,16,17,19)
InChIKeyRDTQFTVPYUMEDT-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.00
Rot. Bonds1

About 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one

6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 171358070) has the molecular formula C14H10ClN3OS and a molecular weight of 303.77 g/mol. Its IUPAC name is 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID171358070
Molecular FormulaC14H10ClN3OS
Molecular Weight303.77 g/mol
Exact Mass303.02
IUPAC Name6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccsc4)c3Cl)N=C2N1
InChIInChI=1S/C14H10ClN3OS/c15-13-9(8-3-4-20-7-8)1-2-11-10(13)5-18-6-12(19)17-14(18)16-11/h1-4,7H,5-6H2,(H,16,17,19)
InChIKeyRDTQFTVPYUMEDT-UHFFFAOYSA-N
XLogP3.00
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 171358070) is 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(ccc(-c4ccsc4)c3Cl)N=C2N1.
What is the InChIKey of 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is RDTQFTVPYUMEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3OS/c15-13-9(8-3-4-20-7-8)1-2-11-10(13)5-18-6-12(19)17-14(18)16-11/h1-4,7H,5-6H2,(H,16,17,19).
What are the key properties of 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 303.77 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-thiophen-3-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 171358070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).