N-(2-acetamidoethyl)cinnoline-3-carboxamide

C13H14N4O2 — CID 110705098

IUPACN-(2-acetamidoethyl)cinnoline-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C13H14N4O2/c1-9(18)14-6-7-15-13(19)12-8-10-4-2-3-5-11(10)16-17-12/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,19)
InChIKeySFHHAWRSIIAMQR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.50
Rot. Bonds4

About N-(2-acetamidoethyl)cinnoline-3-carboxamide

N-(2-acetamidoethyl)cinnoline-3-carboxamide (PubChem CID 110705098) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)cinnoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)cinnoline-3-carboxamide
PubChem CID110705098
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(2-acetamidoethyl)cinnoline-3-carboxamide
SMILESCC(=O)NCCNC(=O)c1cc2ccccc2nn1
InChIInChI=1S/C13H14N4O2/c1-9(18)14-6-7-15-13(19)12-8-10-4-2-3-5-11(10)16-17-12/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,19)
InChIKeySFHHAWRSIIAMQR-UHFFFAOYSA-N
XLogP0.50
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-acetamidoethyl)-4-chloroquinoline-2-carboxamide
CID 63375771
N-[2-(2,5-dimethoxyphenyl)ethyl]cinnoline-3-carboxamide
CID 110705099
cinnoline-3-carboxylic acid;ethane
CID 90831322
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
N-(2-acetamidoethyl)-6-aminopyridazine-3-carboxamide
CID 62154293
N-methyl-N-phenylcinnoline-3-carboxamide
CID 110705116
N-(2-acetamidoethyl)-6-chloropyridine-2-carboxamide
CID 62234709
N-(2-acetamidoethyl)-2-naphthalen-1-ylquinoline-4-carboxamide
CID 24687149
N-pyridin-2-ylcinnoline-3-carboxamide
CID 110705167
N-(6-acetamidohexyl)-1-(2-methylphenyl)isoquinoline-3-carboxamide
CID 59383470
N-[4-(2-acetamidoethylcarbamoyl)phenyl]quinoline-2-carboxamide
CID 121062115
N-(2-acetamidoethyl)-2-phenylquinoline-4-carboxamide
CID 8991025

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)cinnoline-3-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)cinnoline-3-carboxamide (CID 110705098) is N-(2-acetamidoethyl)cinnoline-3-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)cinnoline-3-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)cinnoline-3-carboxamide is CC(=O)NCCNC(=O)c1cc2ccccc2nn1.
What is the InChIKey of N-(2-acetamidoethyl)cinnoline-3-carboxamide?
The InChIKey is SFHHAWRSIIAMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9(18)14-6-7-15-13(19)12-8-10-4-2-3-5-11(10)16-17-12/h2-5,8H,6-7H2,1H3,(H,14,18)(H,15,19).
What are the key properties of N-(2-acetamidoethyl)cinnoline-3-carboxamide?
N-(2-acetamidoethyl)cinnoline-3-carboxamide has a molecular weight of 258.28 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)cinnoline-3-carboxamide is sourced from PubChem (CID 110705098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).