(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide

C22H22N2O — CID 24623993

IUPAC(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O/c1-3-20(17-11-9-16(2)10-12-17)24-21(25)14-13-19-7-4-6-18-8-5-15-23-22(18)19/h4-15,20H,3H2,1-2H3,(H,24,25)/b14-13+
InChIKeyTWNDNFBTMZIZPW-BUHFOSPRSA-N
MW330.43 g/mol
LogP4.82
Rot. Bonds5

About (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide

(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide (PubChem CID 24623993) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
PubChem CID24623993
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide
SMILESCCC(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(C)cc1
InChIInChI=1S/C22H22N2O/c1-3-20(17-11-9-16(2)10-12-17)24-21(25)14-13-19-7-4-6-18-8-5-15-23-22(18)19/h4-15,20H,3H2,1-2H3,(H,24,25)/b14-13+
InChIKeyTWNDNFBTMZIZPW-BUHFOSPRSA-N
XLogP4.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S,3S)-3-methyl-2-[[(E)-3-quinolin-8-ylprop-2-enoyl]amino]pentanoate
CID 47084216
N-[(1R)-1-(4-methylphenyl)propyl]-2-quinolin-8-ylacetamide
CID 51929652
(E)-3-(2-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 92680336
N-benzhydryl-3-quinolin-8-ylprop-2-enamide
CID 55503823
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9297337
(E)-N-(2-ethyl-6-methylphenyl)-3-quinolin-8-ylprop-2-enamide
CID 51335179
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
(E)-N-[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-quinolin-8-ylprop-2-enamide
CID 18209299
N-[1-(4-methylphenyl)propyl]-2-(quinolin-8-ylsulfonylamino)benzamide
CID 20796159
(E)-N-[1-(4-methylphenyl)propyl]-3-(3-nitrophenyl)prop-2-enamide
CID 17328320
(E)-3-(3,5-dimethoxyphenyl)-N-[(1S)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 9091058
(E)-N'-(2-phenylacetyl)-3-quinolin-8-ylprop-2-enehydrazide
CID 24623966

Frequently Asked Questions

What is the IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide?
The IUPAC name of (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide (CID 24623993) is (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide?
The canonical SMILES for (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide is CCC(NC(=O)/C=C/c1cccc2cccnc12)c1ccc(C)cc1.
What is the InChIKey of (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide?
The InChIKey is TWNDNFBTMZIZPW-BUHFOSPRSA-N. The full InChI is InChI=1S/C22H22N2O/c1-3-20(17-11-9-16(2)10-12-17)24-21(25)14-13-19-7-4-6-18-8-5-15-23-22(18)19/h4-15,20H,3H2,1-2H3,(H,24,25)/b14-13+.
What are the key properties of (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide?
(E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide has a molecular weight of 330.43 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[1-(4-methylphenyl)propyl]-3-quinolin-8-ylprop-2-enamide is sourced from PubChem (CID 24623993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).