N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide

C11H10ClN3O2 — CID 89215875

IUPACN-(4-chloro-5-methoxyquinazolin-2-yl)acetamide
SMILESCOc1cccc2nc(NC(C)=O)nc(Cl)c12
InChIInChI=1S/C11H10ClN3O2/c1-6(16)13-11-14-7-4-3-5-8(17-2)9(7)10(12)15-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyMMYCXTFLBNBGTR-UHFFFAOYSA-N
MW251.67 g/mol
LogP2.25
Rot. Bonds2

About N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide

N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide (PubChem CID 89215875) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-5-methoxyquinazolin-2-yl)acetamide
PubChem CID89215875
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC NameN-(4-chloro-5-methoxyquinazolin-2-yl)acetamide
SMILESCOc1cccc2nc(NC(C)=O)nc(Cl)c12
InChIInChI=1S/C11H10ClN3O2/c1-6(16)13-11-14-7-4-3-5-8(17-2)9(7)10(12)15-11/h3-5H,1-2H3,(H,13,14,15,16)
InChIKeyMMYCXTFLBNBGTR-UHFFFAOYSA-N
XLogP2.25
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-5-methoxy-2-thiophen-2-ylquinazoline
CID 22124922
2-amino-5-methoxy-3H-quinazolin-4-one;N-(5-methoxy-4-oxo-3H-quinazolin-2-yl)acetamide;bis(vanadium)
CID 160583384
4-amino-5-methoxy-2-methylquinoline-3-carboxylic acid
CID 54588453
1-(2-chloro-6-methoxyphenyl)ethanone
CID 71464357
4-chloro-5-methoxy-2-(trifluoromethyl)quinoline
CID 621514
methyl 2-chloro-3-methoxybenzoate
CID 10262208
6,9-dichloro-1-methoxyacridine
CID 54563555
acetic acid;1-methoxyphenazine
CID 174937212
methyl 5-methoxy-3-methyl-2-phenylquinoline-4-carboxylate
CID 141038832
N-[8-(2-methoxyphenyl)naphthalen-1-yl]acetamide
CID 141351710
2-chloro-N-(2,6-dimethoxyphenyl)acetamide
CID 20570575
8-methoxynaphthalene-1-carbonyl chloride
CID 14175958

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide?
The IUPAC name of N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide (CID 89215875) is N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide.
What is the SMILES notation for N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide?
The canonical SMILES for N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide is COc1cccc2nc(NC(C)=O)nc(Cl)c12.
What is the InChIKey of N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide?
The InChIKey is MMYCXTFLBNBGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6(16)13-11-14-7-4-3-5-8(17-2)9(7)10(12)15-11/h3-5H,1-2H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide?
N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide has a molecular weight of 251.67 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-5-methoxyquinazolin-2-yl)acetamide is sourced from PubChem (CID 89215875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).