N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide

C18H16N4O — CID 162527697

IUPACN-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3ncc(NC)nc3c2)c1
InChIInChI=1S/C18H16N4O/c1-3-18(23)21-14-6-4-5-12(9-14)13-7-8-15-16(10-13)22-17(19-2)11-20-15/h3-11H,1H2,2H3,(H,19,22)(H,21,23)
InChIKeyAKMRMVOVYCMNTR-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.46
Rot. Bonds4

About N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide

N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide (PubChem CID 162527697) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
PubChem CID162527697
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3ncc(NC)nc3c2)c1
InChIInChI=1S/C18H16N4O/c1-3-18(23)21-14-6-4-5-12(9-14)13-7-8-15-16(10-13)22-17(19-2)11-20-15/h3-11H,1H2,2H3,(H,19,22)(H,21,23)
InChIKeyAKMRMVOVYCMNTR-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
N-[3-(2-aminoquinazolin-7-yl)phenyl]prop-2-enamide;N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526689
N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-[3-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842
1-(3-acetylphenyl)-3-[7-(4-hydroxy-3,5-dimethylphenyl)quinoxalin-2-yl]urea
CID 135908220
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
CID 162527290
N-[3-[6-(methylamino)-1H-indazol-3-yl]phenyl]prop-2-enamide
CID 162527524

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide (CID 162527697) is N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3ncc(NC)nc3c2)c1.
What is the InChIKey of N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide?
The InChIKey is AKMRMVOVYCMNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-3-18(23)21-14-6-4-5-12(9-14)13-7-8-15-16(10-13)22-17(19-2)11-20-15/h3-11H,1H2,2H3,(H,19,22)(H,21,23).
What are the key properties of N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide?
N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 162527697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).