N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide

C18H16N4O — CID 10494722

IUPACN-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Nc3cccc(C)c3)ncnc2c1
InChIInChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
InChIKeyFAGJCAQBJKSOOS-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.81
Rot. Bonds4

About N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide

N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide (PubChem CID 10494722) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide
PubChem CID10494722
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC NameN-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc2c(Nc3cccc(C)c3)ncnc2c1
InChIInChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22)
InChIKeyFAGJCAQBJKSOOS-UHFFFAOYSA-N
XLogP3.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-(3-methylanilino)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-(3-methylanilino)quinazolin-7-yl]prop-2-enamide?
The IUPAC name of N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide (CID 10494722) is N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide.
What is the SMILES notation for N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide?
The canonical SMILES for N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide is C=CC(=O)Nc1ccc2c(Nc3cccc(C)c3)ncnc2c1.
What is the InChIKey of N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide?
The InChIKey is FAGJCAQBJKSOOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-3-17(23)21-14-7-8-15-16(10-14)19-11-20-18(15)22-13-6-4-5-12(2)9-13/h3-11H,1H2,2H3,(H,21,23)(H,19,20,22).
What are the key properties of N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide?
N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide has a molecular weight of 304.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methylanilino)quinazolin-7-yl]prop-2-enamide is sourced from PubChem (CID 10494722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).