N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide

C18H15N3O — CID 162528250

IUPACN-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cnc(C)nc3c2)c1
InChIInChI=1S/C18H15N3O/c1-3-18(22)21-16-6-4-5-13(9-16)14-7-8-15-11-19-12(2)20-17(15)10-14/h3-11H,1H2,2H3,(H,21,22)
InChIKeyIBVXNMCQJDBEKL-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.73
Rot. Bonds3

About N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide

N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide (PubChem CID 162528250) has the molecular formula C18H15N3O and a molecular weight of 289.34 g/mol. Its IUPAC name is N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
PubChem CID162528250
Molecular FormulaC18H15N3O
Molecular Weight289.34 g/mol
Exact Mass289.12
IUPAC NameN-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3cnc(C)nc3c2)c1
InChIInChI=1S/C18H15N3O/c1-3-18(22)21-16-6-4-5-13(9-16)14-7-8-15-11-19-12(2)20-17(15)10-14/h3-11H,1H2,2H3,(H,21,22)
InChIKeyIBVXNMCQJDBEKL-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
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-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
CID 162527695
N-[3-[6-(methylamino)naphthalen-2-yl]phenyl]prop-2-enamide
CID 162526691
N-(3-fluoro-5-quinazolin-7-ylphenyl)prop-2-enamide
CID 162527688
ethane;N-[3-[[2-methyl-5-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 145135698
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
N-[3-[6-amino-5-[2-amino-7-[3-(prop-2-enoylamino)phenyl]quinazolin-4-yl]naphthalen-2-yl]phenyl]prop-2-enamide
CID 166915143
N-[3-(3-methyl-1-methylphosphanylpyrazolo[5,4-b]pyridin-5-yl)phenyl]prop-2-enamide
CID 129189261
N-[3-(2,6-diphenylquinazolin-8-yl)phenyl]prop-2-enamide
CID 134264530
N-[3-[3-[2-methyl-6-(methylamino)pyrimidin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421842

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide (CID 162528250) is N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3cnc(C)nc3c2)c1.
What is the InChIKey of N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide?
The InChIKey is IBVXNMCQJDBEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O/c1-3-18(22)21-16-6-4-5-13(9-16)14-7-8-15-11-19-12(2)20-17(15)10-14/h3-11H,1H2,2H3,(H,21,22).
What are the key properties of N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide?
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide has a molecular weight of 289.34 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 162528250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).