N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide

C19H17N3O — CID 162527695

IUPACN-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3c(C)cc(N)nc3c2)c1
InChIInChI=1S/C19H17N3O/c1-3-19(23)21-15-6-4-5-13(10-15)14-7-8-16-12(2)9-18(20)22-17(16)11-14/h3-11H,1H2,2H3,(H2,20,22)(H,21,23)
InChIKeyRBRBIIOJRPYRPZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.92
Rot. Bonds3

About N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide

N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide (PubChem CID 162527695) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
PubChem CID162527695
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC NameN-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(-c2ccc3c(C)cc(N)nc3c2)c1
InChIInChI=1S/C19H17N3O/c1-3-19(23)21-15-6-4-5-13(10-15)14-7-8-16-12(2)9-18(20)22-17(16)11-14/h3-11H,1H2,2H3,(H2,20,22)(H,21,23)
InChIKeyRBRBIIOJRPYRPZ-UHFFFAOYSA-N
XLogP3.92
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.92
H-Bond Donors ≤ 52
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-(4-methylphenyl)phenyl]prop-2-enamide
CID 166431632
N-[3-(2-methylquinazolin-7-yl)phenyl]prop-2-enamide
CID 162528250
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-(methylamino)quinoxalin-6-yl]phenyl]prop-2-enamide
CID 162527697
N-[3-(4,6-diamino-1,3,5-triazin-2-yl)phenyl]prop-2-enamide
CID 131876477
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-[2-amino-6-(methylamino)pyrimidin-4-yl]phenyl]prop-2-enamide
CID 90190210
N-[3-[2-amino-5-[5-[(1-methylpiperidin-4-yl)amino]-3-[3-(prop-2-enoylamino)phenyl]isoquinolin-1-yl]quinolin-7-yl]phenyl]prop-2-enamide
CID 166914807
N-[3-(3-methoxy-1H-indazol-5-yl)phenyl]prop-2-enamide
CID 162527290
N-(4-amino-3-methylphenyl)prop-2-enamide
CID 90104581
N-(3-tert-butylphenyl)prop-2-enamide
CID 59788882

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide?
The IUPAC name of N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide (CID 162527695) is N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide.
What is the SMILES notation for N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide?
The canonical SMILES for N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cccc(-c2ccc3c(C)cc(N)nc3c2)c1.
What is the InChIKey of N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide?
The InChIKey is RBRBIIOJRPYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-3-19(23)21-15-6-4-5-13(10-15)14-7-8-16-12(2)9-18(20)22-17(16)11-14/h3-11H,1H2,2H3,(H2,20,22)(H,21,23).
What are the key properties of N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide?
N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide has a molecular weight of 303.37 g/mol, XLogP of 3.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-4-methylquinolin-7-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 162527695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).