7-chloro-3H-quinazolin-4-one

C8H5ClN2O — CID 135416175

IUPAC7-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(Cl)ccc12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKeyPMLONMIODRHERC-UHFFFAOYSA-N
MW180.59 g/mol
LogP1.58
Rot. Bonds

About 7-chloro-3H-quinazolin-4-one

7-chloro-3H-quinazolin-4-one (PubChem CID 135416175) has the molecular formula C8H5ClN2O and a molecular weight of 180.59 g/mol. Its IUPAC name is 7-chloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-3H-quinazolin-4-one
PubChem CID135416175
Molecular FormulaC8H5ClN2O
Molecular Weight180.59 g/mol
Exact Mass180.01
IUPAC Name7-chloro-3H-quinazolin-4-one
SMILESO=c1[nH]cnc2cc(Cl)ccc12
InChIInChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12)
InChIKeyPMLONMIODRHERC-UHFFFAOYSA-N
XLogP1.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.59
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4(1H)-Quinazolinone
CID 135408753
5-Chloro-2-methylquinazolin-4(3H)-one
CID 135875707
5-Fluoroquinazolin-4-ol
CID 135495930
2-[(E)-2-(4-Chloro-phenyl)-vinyl]-3-methyl-3H-quinazolin-4-one
CID 5763301
6-Chloro-2-methyl-4(3H)-quinazolinone
CID 135451982
7-Fluoroquinazolin-4(3H)-one
CID 135398496
5-Chloro-3,4-dihydroquinazolin-4-one
CID 135429916
1-(3-Chlorophenyl)quinazolin-4(1H)-one
CID 901934
2-(4-Chlorophenyl)quinazolin-4-ol
CID 135404247
3-(4-chlorophenyl)quinazolin-4(3H)-one
CID 328621
6-Chloroquinazolin-4(3H)-one
CID 135402273
3-(4-chlorobenzyl)quinazolin-4(3H)-one
CID 677888

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-3H-quinazolin-4-one (CID 135416175) is 7-chloro-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-3H-quinazolin-4-one is O=c1[nH]cnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-3H-quinazolin-4-one?
The InChIKey is PMLONMIODRHERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClN2O/c9-5-1-2-6-7(3-5)10-4-11-8(6)12/h1-4H,(H,10,11,12).
What are the key properties of 7-chloro-3H-quinazolin-4-one?
7-chloro-3H-quinazolin-4-one has a molecular weight of 180.59 g/mol, XLogP of 1.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3H-quinazolin-4-one is sourced from PubChem (CID 135416175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).