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

C20H20N4O3 — CID 54075973

IUPAC3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
SMILESO=C(C=Cn1cnc2ccc(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)
InChIKeyMJRNIDXICWAEJN-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.11
Rot. Bonds7

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

3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide (PubChem CID 54075973) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide.

Molecular Properties

Compound Name3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
PubChem CID54075973
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide
SMILESO=C(C=Cn1cnc2ccc(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)
InChIKeyMJRNIDXICWAEJN-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The IUPAC name of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide (CID 54075973) is 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide.
What is the SMILES notation for 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The canonical SMILES for 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide is O=C(C=Cn1cnc2ccc(O)cc2c1=O)NCCCCc1cccnc1.
What is the InChIKey of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
The InChIKey is MJRNIDXICWAEJN-UHFFFAOYSA-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).
What are the key properties of 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide?
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 3-(6-hydroxy-4-oxoquinazolin-3-yl)-N-(4-pyridin-3-ylbutyl)prop-2-enamide is sourced from PubChem (CID 54075973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).