2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one

C11H11Cl2N3O — CID 117264080

IUPAC2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H11Cl2N3O/c1-14-4-5-16-10(17)8-6-7(12)2-3-9(8)15-11(16)13/h2-3,6,14H,4-5H2,1H3
InChIKeyYLKSJQOPDDWSHP-UHFFFAOYSA-N
MW272.13 g/mol
LogP1.92
Rot. Bonds3

About 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one

2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one (PubChem CID 117264080) has the molecular formula C11H11Cl2N3O and a molecular weight of 272.13 g/mol. Its IUPAC name is 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one.

Molecular Properties

Compound Name2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
PubChem CID117264080
Molecular FormulaC11H11Cl2N3O
Molecular Weight272.13 g/mol
Exact Mass271.03
IUPAC Name2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one
SMILESCNCCn1c(Cl)nc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H11Cl2N3O/c1-14-4-5-16-10(17)8-6-7(12)2-3-9(8)15-11(16)13/h2-3,6,14H,4-5H2,1H3
InChIKeyYLKSJQOPDDWSHP-UHFFFAOYSA-N
XLogP1.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-2,6-dichloroquinazolin-4-one
CID 117264077
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
2-chloro-7-fluoro-3-[2-(methylamino)ethyl]quinazolin-4-one
CID 117264428
2-chloro-3-[2-(methylamino)ethyl]-7-(trifluoromethyl)quinazolin-4-one
CID 117264403
3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
2,6-dichloro-4-oxoquinazoline-3-carboxylic acid
CID 117264136
2-[(1S)-1-(butylamino)ethyl]-6-chloro-3-ethylquinazolin-4-one
CID 7301688
2-chloro-6-hydroxy-3-[2-(methylamino)propyl]quinazolin-4-one
CID 117264101
7-(6-chloro-2-methyl-4-oxoquinazolin-3-yl)-N-hydroxyheptanamide
CID 151688990
6-chloro-2-ethylsulfanyl-3-(2-methylpropyl)quinazolin-4-one
CID 112776292
3-benzyl-6-chloro-2-hydrazinylquinazolin-4-one
CID 22609425
2,7-dichloro-3-(2-oxopropyl)quinazolin-4-one
CID 117264200

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one?
The IUPAC name of 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one (CID 117264080) is 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one.
What is the SMILES notation for 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one?
The canonical SMILES for 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one is CNCCn1c(Cl)nc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one?
The InChIKey is YLKSJQOPDDWSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O/c1-14-4-5-16-10(17)8-6-7(12)2-3-9(8)15-11(16)13/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one?
2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one has a molecular weight of 272.13 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-[2-(methylamino)ethyl]quinazolin-4-one is sourced from PubChem (CID 117264080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).