(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide

C23H25N3O — CID 68829748

IUPAC(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide
SMILESCCCc1nc2ccc(/C=C/C(N)=O)cc2c(-c2ccc(C)cc2)c1CN
InChIInChI=1S/C23H25N3O/c1-3-4-20-19(14-24)23(17-9-5-15(2)6-10-17)18-13-16(8-12-22(25)27)7-11-21(18)26-20/h5-13H,3-4,14,24H2,1-2H3,(H2,25,27)/b12-8+
InChIKeyKNBYQUNYIZNVCI-XYOKQWHBSA-N
MW359.47 g/mol
LogP4.12
Rot. Bonds6

About (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide

(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide (PubChem CID 68829748) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide
PubChem CID68829748
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide
SMILESCCCc1nc2ccc(/C=C/C(N)=O)cc2c(-c2ccc(C)cc2)c1CN
InChIInChI=1S/C23H25N3O/c1-3-4-20-19(14-24)23(17-9-5-15(2)6-10-17)18-13-16(8-12-22(25)27)7-11-21(18)26-20/h5-13H,3-4,14,24H2,1-2H3,(H2,25,27)/b12-8+
InChIKeyKNBYQUNYIZNVCI-XYOKQWHBSA-N
XLogP4.12
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 54.12
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

2-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]-1,3-thiazole-4-carboxylic acid
CID 68829049
ethyl 3-[2-(2,2-dimethylpropyl)-4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]quinolin-6-yl]prop-2-enoate
CID 91598264
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxypropanamide
CID 91246603
(E)-3-[4-(4-methylphenyl)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)quinolin-6-yl]prop-2-enoic acid
CID 68828211
2-[3-(aminomethyl)-2-(2,2-dimethylpropyl)-4-(4-methylphenyl)quinolin-6-yl]-1,3-thiazole-4-carboxamide
CID 68828209
(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]prop-2-enamide
CID 22175730
[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]-ethylcarbamic acid;dihydrochloride
CID 68828947
5-(aminomethyl)-4-(4-methylphenyl)-6-(2-methylpropyl)-2-propylpyridine-3-carboxylic acid
CID 69442860
5-(aminomethyl)-6-butyl-2-methyl-4-(4-methylphenyl)pyridine-3-carboxylic acid;dihydrochloride
CID 51051129
(2E,4E)-5-[3-cyano-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]penta-2,4-dienoic acid
CID 87592910
2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyethyl ethaneperoxoate
CID 87715905
methyl 2-[3-(aminomethyl)-4-(4-methylphenyl)-2-(2-methylpropyl)quinolin-6-yl]oxyacetate;dihydrochloride
CID 90664828

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide?
The IUPAC name of (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide (CID 68829748) is (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide is CCCc1nc2ccc(/C=C/C(N)=O)cc2c(-c2ccc(C)cc2)c1CN.
What is the InChIKey of (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide?
The InChIKey is KNBYQUNYIZNVCI-XYOKQWHBSA-N. The full InChI is InChI=1S/C23H25N3O/c1-3-4-20-19(14-24)23(17-9-5-15(2)6-10-17)18-13-16(8-12-22(25)27)7-11-21(18)26-20/h5-13H,3-4,14,24H2,1-2H3,(H2,25,27)/b12-8+.
What are the key properties of (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide?
(E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide has a molecular weight of 359.47 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(aminomethyl)-4-(4-methylphenyl)-2-propylquinolin-6-yl]prop-2-enamide is sourced from PubChem (CID 68829748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).