2,6-dichloro-3H-quinazolin-4-one

C8H4Cl2N2O — CID 135742281

IUPAC2,6-dichloro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13)
InChIKeySHJZIBHISYWVLR-UHFFFAOYSA-N
MW215.04 g/mol
LogP2.23
Rot. Bonds

About 2,6-dichloro-3H-quinazolin-4-one

2,6-dichloro-3H-quinazolin-4-one (PubChem CID 135742281) has the molecular formula C8H4Cl2N2O and a molecular weight of 215.04 g/mol. Its IUPAC name is 2,6-dichloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3H-quinazolin-4-one
PubChem CID135742281
Molecular FormulaC8H4Cl2N2O
Molecular Weight215.04 g/mol
Exact Mass213.97
IUPAC Name2,6-dichloro-3H-quinazolin-4-one
SMILESO=c1[nH]c(Cl)nc2ccc(Cl)cc12
InChIInChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13)
InChIKeySHJZIBHISYWVLR-UHFFFAOYSA-N
XLogP2.23
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.04
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-2-[(6-chloro-4-oxo-3H-quinazolin-2-yl)amino]-3H-quinazolin-4-one
CID 135430600
2-(6-chloro-4-oxo-3H-quinazolin-2-yl)guanidine
CID 135447322
6-chloro-2-[(1R)-1-hydroxyethyl]-3H-quinazolin-4-one
CID 137201177
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
6-chloro-2-ethoxy-3H-quinazolin-4-one
CID 175805927
6-chloro-2-[(Z)-1-chloro-2-phenylethenyl]-3H-quinazolin-4-one
CID 135817921
6-chloro-2-(3-fluoro-5-hydroxyphenyl)-3H-quinazolin-4-one
CID 167985488
6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
6-chloro-2-(5-chloro-2-propan-2-yloxyphenyl)-3H-quinazolin-4-one
CID 136638285
6-chloro-2-[4-(2-hydroxyethoxy)phenyl]-3H-quinazolin-4-one
CID 136703861
6-chloro-2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 137197704
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3H-quinazolin-4-one?
The IUPAC name of 2,6-dichloro-3H-quinazolin-4-one (CID 135742281) is 2,6-dichloro-3H-quinazolin-4-one.
What is the SMILES notation for 2,6-dichloro-3H-quinazolin-4-one?
The canonical SMILES for 2,6-dichloro-3H-quinazolin-4-one is O=c1[nH]c(Cl)nc2ccc(Cl)cc12.
What is the InChIKey of 2,6-dichloro-3H-quinazolin-4-one?
The InChIKey is SHJZIBHISYWVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2O/c9-4-1-2-6-5(3-4)7(13)12-8(10)11-6/h1-3H,(H,11,12,13).
What are the key properties of 2,6-dichloro-3H-quinazolin-4-one?
2,6-dichloro-3H-quinazolin-4-one has a molecular weight of 215.04 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3H-quinazolin-4-one is sourced from PubChem (CID 135742281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).