(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide

C18H20N4O — CID 6176893

IUPAC(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide
SMILESCCN(CC)c1nc2cc(C)ccc2cc1/C=C(\C#N)C(N)=O
InChIInChI=1S/C18H20N4O/c1-4-22(5-2)18-14(10-15(11-19)17(20)23)9-13-7-6-12(3)8-16(13)21-18/h6-10H,4-5H2,1-3H3,(H2,20,23)/b15-10+
InChIKeySYPLOYPHKMSNCI-XNTDXEJSSA-N
MW308.39 g/mol
LogP2.78
Rot. Bonds5

About (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide

(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide (PubChem CID 6176893) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide
PubChem CID6176893
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide
SMILESCCN(CC)c1nc2cc(C)ccc2cc1/C=C(\C#N)C(N)=O
InChIInChI=1S/C18H20N4O/c1-4-22(5-2)18-14(10-15(11-19)17(20)23)9-13-7-6-12(3)8-16(13)21-18/h6-10H,4-5H2,1-3H3,(H2,20,23)/b15-10+
InChIKeySYPLOYPHKMSNCI-XNTDXEJSSA-N
XLogP2.78
TPSA83.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', '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)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide (CID 6176893) is (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide is CCN(CC)c1nc2cc(C)ccc2cc1/C=C(\C#N)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide?
The InChIKey is SYPLOYPHKMSNCI-XNTDXEJSSA-N. The full InChI is InChI=1S/C18H20N4O/c1-4-22(5-2)18-14(10-15(11-19)17(20)23)9-13-7-6-12(3)8-16(13)21-18/h6-10H,4-5H2,1-3H3,(H2,20,23)/b15-10+.
What are the key properties of (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide?
(E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide has a molecular weight of 308.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-[2-(diethylamino)-7-methylquinolin-3-yl]prop-2-enamide is sourced from PubChem (CID 6176893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).