2-chloro-4-dimethoxyphosphorylquinazoline

C10H10ClN2O3P — CID 134912804

IUPAC2-chloro-4-dimethoxyphosphorylquinazoline
SMILESCOP(=O)(OC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C10H10ClN2O3P/c1-15-17(14,16-2)9-7-5-3-4-6-8(7)12-10(11)13-9/h3-6H,1-2H3
InChIKeyMFGCFKFXKGVOKO-UHFFFAOYSA-N
MW272.63 g/mol
LogP2.39
Rot. Bonds3

About 2-chloro-4-dimethoxyphosphorylquinazoline

2-chloro-4-dimethoxyphosphorylquinazoline (PubChem CID 134912804) has the molecular formula C10H10ClN2O3P and a molecular weight of 272.63 g/mol. Its IUPAC name is 2-chloro-4-dimethoxyphosphorylquinazoline.

Molecular Properties

Compound Name2-chloro-4-dimethoxyphosphorylquinazoline
PubChem CID134912804
Molecular FormulaC10H10ClN2O3P
Molecular Weight272.63 g/mol
Exact Mass272.01
IUPAC Name2-chloro-4-dimethoxyphosphorylquinazoline
SMILESCOP(=O)(OC)c1nc(Cl)nc2ccccc12
InChIInChI=1S/C10H10ClN2O3P/c1-15-17(14,16-2)9-7-5-3-4-6-8(7)12-10(11)13-9/h3-6H,1-2H3
InChIKeyMFGCFKFXKGVOKO-UHFFFAOYSA-N
XLogP2.39
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.63
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-chloroquinazolin-4-olate
CID 51422885
2-chloro-4-(2-methoxyethylsulfanyl)quinazoline
CID 62476840
2-chloro-4-propoxyquinazoline
CID 62477512
N'-(2-chloroquinazolin-4-yl)-3-methoxypropanehydrazide
CID 22693205
2-chloro-N-(2-methoxyphenyl)-N-methylquinazolin-4-amine
CID 11266548
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600
ethyl 2-[2-(2-chloroquinazolin-4-yl)hydrazinyl]-2-oxoacetate
CID 13191626
N-(4-bromo-2-ethylphenyl)-2-chloroquinazolin-4-amine
CID 81289133
2-chloro-4-(3,4-dimethoxypyrrolidin-1-yl)quinazoline
CID 103536646
2-chloro-N,N-bis(2-methylpropyl)quinazolin-4-amine
CID 22693267
2-chloro-N-(2-ethoxyethyl)-N-ethylquinazolin-4-amine
CID 63692737
2-chloro-4-(4-methylphenyl)quinazoline
CID 3122268

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-dimethoxyphosphorylquinazoline?
The IUPAC name of 2-chloro-4-dimethoxyphosphorylquinazoline (CID 134912804) is 2-chloro-4-dimethoxyphosphorylquinazoline.
What is the SMILES notation for 2-chloro-4-dimethoxyphosphorylquinazoline?
The canonical SMILES for 2-chloro-4-dimethoxyphosphorylquinazoline is COP(=O)(OC)c1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-4-dimethoxyphosphorylquinazoline?
The InChIKey is MFGCFKFXKGVOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN2O3P/c1-15-17(14,16-2)9-7-5-3-4-6-8(7)12-10(11)13-9/h3-6H,1-2H3.
What are the key properties of 2-chloro-4-dimethoxyphosphorylquinazoline?
2-chloro-4-dimethoxyphosphorylquinazoline has a molecular weight of 272.63 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-dimethoxyphosphorylquinazoline is sourced from PubChem (CID 134912804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).