N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide

C11H7ClN4O — CID 168521505

IUPACN-(4-chloroquinazolin-6-yl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C11H7ClN4O/c12-11-8-5-7(16-10(17)3-4-13)1-2-9(8)14-6-15-11/h1-2,5-6H,3H2,(H,16,17)
InChIKeyGTDHPHMCNCFCRN-UHFFFAOYSA-N
MW246.66 g/mol
LogP2.14
Rot. Bonds2

About N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide

N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide (PubChem CID 168521505) has the molecular formula C11H7ClN4O and a molecular weight of 246.66 g/mol. Its IUPAC name is N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide.

Molecular Properties

Compound NameN-(4-chloroquinazolin-6-yl)-2-cyanoacetamide
PubChem CID168521505
Molecular FormulaC11H7ClN4O
Molecular Weight246.66 g/mol
Exact Mass246.03
IUPAC NameN-(4-chloroquinazolin-6-yl)-2-cyanoacetamide
SMILESN#CCC(=O)Nc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C11H7ClN4O/c12-11-8-5-7(16-10(17)3-4-13)1-2-9(8)14-6-15-11/h1-2,5-6H,3H2,(H,16,17)
InChIKeyGTDHPHMCNCFCRN-UHFFFAOYSA-N
XLogP2.14
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-cyanoacetamide
CID 168521649
N-(2H-benzotriazol-5-yl)-2-cyanoacetamide
CID 168520627
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(3-chloro-4-methoxyphenyl)-2-cyanoacetamide
CID 3854691
N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
CID 169466581
N-(3-chloro-4-cyanophenyl)-2-quinazolin-4-ylsulfanylacetamide
CID 3518128
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165
N-(2-acetamido-1,3-benzothiazol-6-yl)-2-cyanoacetamide
CID 168521756
2-cyano-N-(3-pyrimidin-2-ylphenyl)acetamide
CID 168521501
N-(3-chlorophenyl)-4-[(2-cyanoacetyl)amino]benzamide
CID 2475447
4-[(2-cyanoacetyl)amino]benzoic acid
CID 857628

Frequently Asked Questions

What is the IUPAC name of N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide?
The IUPAC name of N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide (CID 168521505) is N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide.
What is the SMILES notation for N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide?
The canonical SMILES for N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide is N#CCC(=O)Nc1ccc2ncnc(Cl)c2c1.
What is the InChIKey of N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide?
The InChIKey is GTDHPHMCNCFCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN4O/c12-11-8-5-7(16-10(17)3-4-13)1-2-9(8)14-6-15-11/h1-2,5-6H,3H2,(H,16,17).
What are the key properties of N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide?
N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide has a molecular weight of 246.66 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloroquinazolin-6-yl)-2-cyanoacetamide is sourced from PubChem (CID 168521505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).