N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide

C15H18N4O — CID 155581978

IUPACN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1
InChIInChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20)
InChIKeyJFNUGDKSAONXPL-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.60
Rot. Bonds5

About N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide

N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide (PubChem CID 155581978) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
PubChem CID155581978
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1
InChIInChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20)
InChIKeyJFNUGDKSAONXPL-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The IUPAC name of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide (CID 155581978) is N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The canonical SMILES for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(N(CC)CC)ncnc2c1.
What is the InChIKey of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
The InChIKey is JFNUGDKSAONXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-4-14(20)18-11-7-8-12-13(9-11)16-10-17-15(12)19(5-2)6-3/h4,7-10H,1,5-6H2,2-3H3,(H,18,20).
What are the key properties of N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide?
N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide has a molecular weight of 270.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)quinazolin-7-yl]prop-2-enamide is sourced from PubChem (CID 155581978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).