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

C16H12ClN3O — CID 171344825

IUPAC6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccccc4)c3Cl)N=C2N1
InChIInChI=1S/C16H12ClN3O/c17-15-11(10-4-2-1-3-5-10)6-7-13-12(15)8-20-9-14(21)19-16(20)18-13/h1-7H,8-9H2,(H,18,19,21)
InChIKeyTXXPPQWCANVQRV-UHFFFAOYSA-N
MW297.75 g/mol
LogP2.94
Rot. Bonds1

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

6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (PubChem CID 171344825) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.

Molecular Properties

Compound Name6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
PubChem CID171344825
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
SMILESO=C1CN2Cc3c(ccc(-c4ccccc4)c3Cl)N=C2N1
InChIInChI=1S/C16H12ClN3O/c17-15-11(10-4-2-1-3-5-10)6-7-13-12(15)8-20-9-14(21)19-16(20)18-13/h1-7H,8-9H2,(H,18,19,21)
InChIKeyTXXPPQWCANVQRV-UHFFFAOYSA-N
XLogP2.94
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Anagrelide Hydrochloride
CID 135413494
Quazinone
CID 135418296
7-chloro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136058108
Dechloro Anagrelide
CID 136125465
6-chloro-8-piperidin-1-yl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002140
6-chloro-8-(dimethylamino)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 136002141
Antitumor agent-100
CID 168432132
6-chloro-7-fluoro-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 171345689
6-chloro-7-(2-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 171347638
6-chloro-7-(4-chlorophenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 171350137
6-chloro-7-(3-methylphenyl)-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one
CID 171353913
4-(6-chloro-2-oxo-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-7-yl)benzonitrile
CID 171356133

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The IUPAC name of 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one (CID 171344825) is 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one.
What is the SMILES notation for 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The canonical SMILES for 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is O=C1CN2Cc3c(ccc(-c4ccccc4)c3Cl)N=C2N1.
What is the InChIKey of 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
The InChIKey is TXXPPQWCANVQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-15-11(10-4-2-1-3-5-10)6-7-13-12(15)8-20-9-14(21)19-16(20)18-13/h1-7H,8-9H2,(H,18,19,21).
What are the key properties of 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one?
6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one has a molecular weight of 297.75 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-phenyl-3,5-dihydro-1H-imidazo[2,1-b]quinazolin-2-one is sourced from PubChem (CID 171344825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).