1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione

C23H25N3O2 — CID 19087731

IUPAC1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)
InChIKeyHWAMZZDVCNUNNL-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.26
Rot. Bonds6

About 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione

1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione (PubChem CID 19087731) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
PubChem CID19087731
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12
InChIInChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28)
InChIKeyHWAMZZDVCNUNNL-UHFFFAOYSA-N
XLogP3.26
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione?
The IUPAC name of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione (CID 19087731) is 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione is O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2ccccc12.
What is the InChIKey of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione?
The InChIKey is HWAMZZDVCNUNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-22-20-10-4-5-11-21(20)26(23(28)24-22)15-7-6-14-25-16-12-19(13-17-25)18-8-2-1-3-9-18/h1-5,8-12H,6-7,13-17H2,(H,24,27,28).
What are the key properties of 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione?
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione has a molecular weight of 375.47 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione is sourced from PubChem (CID 19087731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).