6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one

C8H7ClN2O2 — CID 91010488

IUPAC6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(O)Nc2ccc(Cl)cc21
InChIInChI=1S/C8H7ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3,8,10,13H,(H,11,12)
InChIKeyDAYWCJVKHPRLKP-UHFFFAOYSA-N
MW198.61 g/mol
LogP0.77
Rot. Bonds

About 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one

6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one (PubChem CID 91010488) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
PubChem CID91010488
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one
SMILESO=C1NC(O)Nc2ccc(Cl)cc21
InChIInChI=1S/C8H7ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3,8,10,13H,(H,11,12)
InChIKeyDAYWCJVKHPRLKP-UHFFFAOYSA-N
XLogP0.77
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-2-sulfanyl-2,3-dihydro-1H-quinazolin-4-one
CID 155669394
6-fluoro-2-hydroxy-7-methyl-2,3-dihydro-1H-quinazolin-4-one
CID 90750655
6-chloro-2-thiophen-2-yl-2,3-dihydro-1H-quinazolin-4-one
CID 47409940
2-(3-bromophenyl)-6-chloro-2,3-dihydro-1H-quinazolin-4-one
CID 11221417
6-chloro-1,2-dihydroquinoline-2,4-diol
CID 142095055
3-benzyl-7-chloro-5-(2-hydroxy-2,3-dihydro-1H-benzimidazol-5-yl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 145475835
6-chloro-3-methylideneisoindol-1-one
CID 46863584
7-chloro-3-hydroxy-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;molecular hydrogen
CID 159104531
8-chloro-3-nitro-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 23354292
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
8-chloro-2-hydroxy-5H-benzo[b][1,4]benzoxazepin-6-one
CID 71651718
5-chloro-3-(4-hydroxyphenyl)imino-1H-indol-2-one
CID 171716800

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one (CID 91010488) is 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one is O=C1NC(O)Nc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one?
The InChIKey is DAYWCJVKHPRLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-4-1-2-6-5(3-4)7(12)11-8(13)10-6/h1-3,8,10,13H,(H,11,12).
What are the key properties of 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one?
6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one has a molecular weight of 198.61 g/mol, XLogP of 0.77, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-hydroxy-2,3-dihydro-1H-quinazolin-4-one is sourced from PubChem (CID 91010488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).