(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

C24H28N4O — CID 11632484

IUPAC(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)ccc3c2)cc1
InChIInChI=1S/C24H28N4O/c1-18-5-7-19(8-6-18)9-14-24(29)25-21-11-12-22-20(17-21)10-13-23(26-22)28(4)16-15-27(2)3/h5-14,17H,15-16H2,1-4H3,(H,25,29)/b14-9+
InChIKeyGEGLJDPEPGLWCZ-NTEUORMPSA-N
MW388.52 g/mol
LogP4.19
Rot. Bonds7

About (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide

(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (PubChem CID 11632484) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
PubChem CID11632484
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC Name(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide
SMILESCc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)ccc3c2)cc1
InChIInChI=1S/C24H28N4O/c1-18-5-7-19(8-6-18)9-14-24(29)25-21-11-12-22-20(17-21)10-13-23(26-22)28(4)16-15-27(2)3/h5-14,17H,15-16H2,1-4H3,(H,25,29)/b14-9+
InChIKeyGEGLJDPEPGLWCZ-NTEUORMPSA-N
XLogP4.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.52
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide (CID 11632484) is (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is Cc1ccc(/C=C/C(=O)Nc2ccc3nc(N(C)CCN(C)C)ccc3c2)cc1.
What is the InChIKey of (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
The InChIKey is GEGLJDPEPGLWCZ-NTEUORMPSA-N. The full InChI is InChI=1S/C24H28N4O/c1-18-5-7-19(8-6-18)9-14-24(29)25-21-11-12-22-20(17-21)10-13-23(26-22)28(4)16-15-27(2)3/h5-14,17H,15-16H2,1-4H3,(H,25,29)/b14-9+.
What are the key properties of (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide?
(E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide has a molecular weight of 388.52 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-[2-(dimethylamino)ethyl-methylamino]quinolin-6-yl]-3-(4-methylphenyl)prop-2-enamide is sourced from PubChem (CID 11632484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).