(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide

C20H20N4O3 — CID 23313645

IUPAC(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCc1cccnc1
InChIInChI=1S/C20H20N4O3/c25-16-6-7-18-17(12-16)20(27)24(14-23-18)11-8-19(26)22-10-2-1-4-15-5-3-9-21-13-15/h3,5-9,11-14,25H,1-2,4,10H2,(H,22,26)/b11-8+
InChIKeyMJRNIDXICWAEJN-DHZHZOJOSA-N
MW364.41 g/mol
LogP2.11
Rot. Bonds7

About (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide

(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide (PubChem CID 23313645) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
PubChem CID23313645
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
SMILESO=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCc1cccnc1
InChIInChI=1S/C20H20N4O3/c25-16-6-7-18-17(12-16)20(27)24(14-23-18)11-8-19(26)22-10-2-1-4-15-5-3-9-21-13-15/h3,5-9,11-14,25H,1-2,4,10H2,(H,22,26)/b11-8+
InChIKeyMJRNIDXICWAEJN-DHZHZOJOSA-N
XLogP2.11
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)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 (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The IUPAC name of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide (CID 23313645) is (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The canonical SMILES for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide is O=C(/C=C/n1cnc2ccc(O)cc2c1=O)NCCCCc1cccnc1.
What is the InChIKey of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The InChIKey is MJRNIDXICWAEJN-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-16-6-7-18-17(12-16)20(27)24(14-23-18)11-8-19(26)22-10-2-1-4-15-5-3-9-21-13-15/h3,5-9,11-14,25H,1-2,4,10H2,(H,22,26)/b11-8+.
What are the key properties of (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
(E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide has a molecular weight of 364.41 g/mol, XLogP of 2.11, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide is sourced from PubChem (CID 23313645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).