2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline

C18H12Cl3N5O — CID 160857982

IUPAC2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2ccccc2n1.NC(=O)Cc1nc(Cl)nc2ccccc12
InChIInChI=1S/C10H8ClN3O.C8H4Cl2N2/c11-10-13-7-4-2-1-3-6(7)8(14-10)5-9(12)15;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,5H2,(H2,12,15);1-4H
InChIKeySKCNZDIYLVDXTC-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.25
Rot. Bonds2

About 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline

2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline (PubChem CID 160857982) has the molecular formula C18H12Cl3N5O and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline.

Molecular Properties

Compound Name2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline
PubChem CID160857982
Molecular FormulaC18H12Cl3N5O
Molecular Weight420.69 g/mol
Exact Mass419.01
IUPAC Name2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline
SMILESClc1nc(Cl)c2ccccc2n1.NC(=O)Cc1nc(Cl)nc2ccccc12
InChIInChI=1S/C10H8ClN3O.C8H4Cl2N2/c11-10-13-7-4-2-1-3-6(7)8(14-10)5-9(12)15;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,5H2,(H2,12,15);1-4H
InChIKeySKCNZDIYLVDXTC-UHFFFAOYSA-N
XLogP4.25
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chloroquinazolin-4-yl)ethanamine
CID 105461326
3-(2-chloroquinazolin-4-yl)propan-1-amine
CID 87746138
2-(2,4-dichloroquinazolin-6-yl)oxyacetamide
CID 59799617
2-(4-benzyl-2-chloropyrimidin-5-yl)acetamide
CID 146281567
methyl 2-(4-chloroquinazolin-2-yl)acetate
CID 71748503
2-[2-[(2-chloroquinolin-4-yl)methoxy]phenyl]acetamide
CID 75511404
1-(2-chloroquinazolin-4-yl)-N-methylpropan-2-amine
CID 105497203
2-chloroquinazolin-4-olate
CID 51422885
4-[(2-chloroquinazolin-4-yl)amino]benzamide
CID 22692750
2-[4-[(2-chloroquinazolin-4-yl)amino]phenyl]acetic acid
CID 22693237
4-ethylquinazoline-2-carboxamide;dihydrochloride
CID 89487232
(2,4-dichloroquinazolin-6-yl) acetate
CID 101166088

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline?
The IUPAC name of 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline (CID 160857982) is 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline.
What is the SMILES notation for 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline?
The canonical SMILES for 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline is Clc1nc(Cl)c2ccccc2n1.NC(=O)Cc1nc(Cl)nc2ccccc12.
What is the InChIKey of 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline?
The InChIKey is SKCNZDIYLVDXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O.C8H4Cl2N2/c11-10-13-7-4-2-1-3-6(7)8(14-10)5-9(12)15;9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H,5H2,(H2,12,15);1-4H.
What are the key properties of 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline?
2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline has a molecular weight of 420.69 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroquinazolin-4-yl)acetamide;2,4-dichloroquinazoline is sourced from PubChem (CID 160857982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).