2-chloroquinazolin-4-olate

C8H4ClN2O- — CID 51422885

IUPAC2-chloroquinazolin-4-olate
SMILES[O-]c1nc(Cl)nc2ccccc12
InChIInChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)/p-1
InChIKeyCNGRGEDXKHIFIL-UHFFFAOYSA-M
MW179.59 g/mol
LogP1.36
Rot. Bonds

About 2-chloroquinazolin-4-olate

2-chloroquinazolin-4-olate (PubChem CID 51422885) has the molecular formula C8H4ClN2O- and a molecular weight of 179.59 g/mol. Its IUPAC name is 2-chloroquinazolin-4-olate.

Molecular Properties

Compound Name2-chloroquinazolin-4-olate
PubChem CID51422885
Molecular FormulaC8H4ClN2O-
Molecular Weight179.59 g/mol
Exact Mass179.00
IUPAC Name2-chloroquinazolin-4-olate
SMILES[O-]c1nc(Cl)nc2ccccc12
InChIInChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)/p-1
InChIKeyCNGRGEDXKHIFIL-UHFFFAOYSA-M
XLogP1.36
TPSA48.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.59
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268
2-(2-chloroquinazolin-4-yl)ethanamine
CID 105461326
2-chloro-N-(4-chlorophenyl)quinazolin-4-amine
CID 22692704
2-chloro-4-dimethoxyphosphorylquinazoline
CID 134912804
3-(2-chloroquinazolin-4-yl)propan-1-amine
CID 87746138
2-chloro-4-propoxyquinazoline
CID 62477512
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
4-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692945
3-[(2-chloroquinazolin-4-yl)amino]phenol
CID 22692943
2-chloro-N-(2-phenylsulfanylethyl)quinazolin-4-amine
CID 12827448
2-chloro-N-cyclopropyl-N-methylquinazolin-4-amine
CID 62476819
2-chloro-4-imidazol-1-ylquinazoline
CID 15187963

Frequently Asked Questions

What is the IUPAC name of 2-chloroquinazolin-4-olate?
The IUPAC name of 2-chloroquinazolin-4-olate (CID 51422885) is 2-chloroquinazolin-4-olate.
What is the SMILES notation for 2-chloroquinazolin-4-olate?
The canonical SMILES for 2-chloroquinazolin-4-olate is [O-]c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloroquinazolin-4-olate?
The InChIKey is CNGRGEDXKHIFIL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)/p-1.
What are the key properties of 2-chloroquinazolin-4-olate?
2-chloroquinazolin-4-olate has a molecular weight of 179.59 g/mol, XLogP of 1.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroquinazolin-4-olate is sourced from PubChem (CID 51422885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).