(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

C14H10Cl2N2O2 — CID 41143825

IUPAC(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21
InChIInChI=1S/C14H10Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,13,17,19H,(H,18,20)/t13-/m1/s1
InChIKeyXBLHKQFYLHBIAP-CYBMUJFWSA-N
MW309.15 g/mol
LogP3.55
Rot. Bonds1

About (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one

(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 41143825) has the molecular formula C14H10Cl2N2O2 and a molecular weight of 309.15 g/mol. Its IUPAC name is (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
PubChem CID41143825
Molecular FormulaC14H10Cl2N2O2
Molecular Weight309.15 g/mol
Exact Mass308.01
IUPAC Name(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21
InChIInChI=1S/C14H10Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,13,17,19H,(H,18,20)/t13-/m1/s1
InChIKeyXBLHKQFYLHBIAP-CYBMUJFWSA-N
XLogP3.55
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.15
LogP ≤ 53.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(3-chloro-4,5-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 46827986
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
(2S)-2-(2-hydroxy-5-methylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 790493
(2S)-2-[2-chloro-4-(dimethylamino)phenyl]-2,3-dihydro-1H-quinazolin-4-one
CID 6924605
(2R)-2-(2,4-dimethylphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 51374346
2-(2-phosphanyloxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 70948912
(2R)-2-(4-bromo-2-fluorophenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 41236172
(2S)-2-(2-chloro-6,8-dimethylquinolin-3-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 865092
(2S)-2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 40632854
5-(3,5-dichloro-2-hydroxyphenyl)imidazolidine-2,4-dione
CID 12901633
2-chloro-N-[3-(4-oxo-2,3-dihydro-1H-quinazolin-2-yl)phenyl]benzamide
CID 17424844
(2R)-2-[1-[(2-chlorophenyl)methyl]-3-phenylpyrazol-4-yl]-2,3-dihydro-1H-quinazolin-4-one
CID 9292068

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one (CID 41143825) is (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is O=C1N[C@H](c2cc(Cl)cc(Cl)c2O)Nc2ccccc21.
What is the InChIKey of (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is XBLHKQFYLHBIAP-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H10Cl2N2O2/c15-7-5-9(12(19)10(16)6-7)13-17-11-4-2-1-3-8(11)14(20)18-13/h1-6,13,17,19H,(H,18,20)/t13-/m1/s1.
What are the key properties of (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one?
(2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 309.15 g/mol, XLogP of 3.55, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dichloro-2-hydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 41143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).