8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one

C24H27N3O — CID 135436639

IUPAC8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C24H27N3O/c1-2-18-10-6-11-21-23(18)25-22(26-24(21)28)12-7-15-27-16-13-20(14-17-27)19-8-4-3-5-9-19/h3-6,8-11,13H,2,7,12,14-17H2,1H3,(H,25,26,28)
InChIKeyBLYSXDLBXMMRGT-UHFFFAOYSA-N
MW373.50 g/mol
LogP4.21
Rot. Bonds6

About 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one

8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (PubChem CID 135436639) has the molecular formula C24H27N3O and a molecular weight of 373.50 g/mol. Its IUPAC name is 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
PubChem CID135436639
Molecular FormulaC24H27N3O
Molecular Weight373.50 g/mol
Exact Mass373.22
IUPAC Name8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C24H27N3O/c1-2-18-10-6-11-21-23(18)25-22(26-24(21)28)12-7-15-27-16-13-20(14-17-27)19-8-4-3-5-9-19/h3-6,8-11,13H,2,7,12,14-17H2,1H3,(H,25,26,28)
InChIKeyBLYSXDLBXMMRGT-UHFFFAOYSA-N
XLogP4.21
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (CID 135436639) is 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is CCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12.
What is the InChIKey of 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The InChIKey is BLYSXDLBXMMRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O/c1-2-18-10-6-11-21-23(18)25-22(26-24(21)28)12-7-15-27-16-13-20(14-17-27)19-8-4-3-5-9-19/h3-6,8-11,13H,2,7,12,14-17H2,1H3,(H,25,26,28).
What are the key properties of 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one has a molecular weight of 373.50 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135436639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).