N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide

C13H12ClN3O — CID 169466581

IUPACN-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C13H12ClN3O/c1-9(18)15-6-2-3-10-4-5-12-11(7-10)13(14)17-8-16-12/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyNXLUAVDEOGAVPX-UHFFFAOYSA-N
MW261.71 g/mol
LogP2.43
Rot. Bonds3

About N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide

N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide (PubChem CID 169466581) has the molecular formula C13H12ClN3O and a molecular weight of 261.71 g/mol. Its IUPAC name is N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
PubChem CID169466581
Molecular FormulaC13H12ClN3O
Molecular Weight261.71 g/mol
Exact Mass261.07
IUPAC NameN-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2ncnc(Cl)c2c1
InChIInChI=1S/C13H12ClN3O/c1-9(18)15-6-2-3-10-4-5-12-11(7-10)13(14)17-8-16-12/h2-5,7-8H,6H2,1H3,(H,15,18)
InChIKeyNXLUAVDEOGAVPX-UHFFFAOYSA-N
XLogP2.43
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(4-chloroquinazolin-7-yl)but-3-enyl]acetamide
CID 170489399
3-(4-chloroquinazolin-6-yl)prop-2-enal
CID 169460044
N-[3-(2-chloro-4-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465018
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
N-[3-(2-methyl-3H-benzimidazol-5-yl)prop-2-enyl]acetamide
CID 169465629
N-[3-(2-amino-4-chloropyrimidin-5-yl)prop-2-enyl]acetamide
CID 169465228
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
N-[3-(6-chloro-5-nitro-3-pyridinyl)prop-2-enyl]acetamide
CID 169465794
4-chloro-7-(3-chloroprop-1-enyl)quinazoline
CID 169478006
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
N-[3-(5-chloro-2-pyridinyl)prop-2-enyl]acetamide
CID 169464897
4-(3-acetamidoprop-1-enyl)pyridine-2-carboxylic acid
CID 169465521

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide (CID 169466581) is N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2ncnc(Cl)c2c1.
What is the InChIKey of N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide?
The InChIKey is NXLUAVDEOGAVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O/c1-9(18)15-6-2-3-10-4-5-12-11(7-10)13(14)17-8-16-12/h2-5,7-8H,6H2,1H3,(H,15,18).
What are the key properties of N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide?
N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide has a molecular weight of 261.71 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroquinazolin-6-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).