2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide

C14H13N3O2 — CID 168522003

IUPAC2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide
SMILESCc1cc2c(C)cc(=O)[nH]c2cc1NC(=O)CC#N
InChIInChI=1S/C14H13N3O2/c1-8-6-14(19)17-12-7-11(9(2)5-10(8)12)16-13(18)3-4-15/h5-7H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYZGBPRBEGXEAEI-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.00
Rot. Bonds2

About 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide

2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide (PubChem CID 168522003) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide
PubChem CID168522003
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide
SMILESCc1cc2c(C)cc(=O)[nH]c2cc1NC(=O)CC#N
InChIInChI=1S/C14H13N3O2/c1-8-6-14(19)17-12-7-11(9(2)5-10(8)12)16-13(18)3-4-15/h5-7H,3H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyYZGBPRBEGXEAEI-UHFFFAOYSA-N
XLogP2.00
TPSA85.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyano-N-(2,5-dimethylphenyl)acetamide
CID 2360619
N-(5-bromo-4-fluoro-2-methylphenyl)-2-cyanoacetamide
CID 103280880
N-[4-[(2-cyanoacetyl)amino]-2-methylphenyl]butanamide
CID 168522119
2-cyano-N-(6,8-dimethyl-9-oxo-10H-acridin-4-yl)acetamide
CID 168524142
2-cyano-N-(2,3,4-trimethylphenyl)acetamide
CID 115172937
4-[(2-cyanoacetyl)amino]-3-methylbenzenesulfonic acid
CID 168524082
2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
N-[4-(4-bromophenoxy)-2-methylphenyl]-2-cyanoacetamide
CID 168521022
ethyl 4-[(2-cyanoacetyl)amino]-3-methylbenzoate
CID 83303062
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
N-(4-chloro-3,5-dimethylphenyl)-2-cyanoacetamide
CID 168523333

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide?
The IUPAC name of 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide (CID 168522003) is 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide?
The canonical SMILES for 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide is Cc1cc2c(C)cc(=O)[nH]c2cc1NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide?
The InChIKey is YZGBPRBEGXEAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-8-6-14(19)17-12-7-11(9(2)5-10(8)12)16-13(18)3-4-15/h5-7H,3H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide?
2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(4,6-dimethyl-2-oxo-1H-quinolin-7-yl)acetamide is sourced from PubChem (CID 168522003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).