6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one

C22H23N3O3 — CID 135415476

IUPAC6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-12-17-18(13-20(19)28-2)23-21(24-22(17)26)14-25-10-8-16(9-11-25)15-6-4-3-5-7-15/h3-8,12-13H,9-11,14H2,1-2H3,(H,23,24,26)
InChIKeyCKCSOMMBIPJYSG-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.23
Rot. Bonds5

About 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one

6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one (PubChem CID 135415476) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one
PubChem CID135415476
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one
SMILESCOc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC
InChIInChI=1S/C22H23N3O3/c1-27-19-12-17-18(13-20(19)28-2)23-21(24-22(17)26)14-25-10-8-16(9-11-25)15-6-4-3-5-7-15/h3-8,12-13H,9-11,14H2,1-2H3,(H,23,24,26)
InChIKeyCKCSOMMBIPJYSG-UHFFFAOYSA-N
XLogP3.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one (CID 135415476) is 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one is COc1cc2nc(CN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one?
The InChIKey is CKCSOMMBIPJYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-19-12-17-18(13-20(19)28-2)23-21(24-22(17)26)14-25-10-8-16(9-11-25)15-6-4-3-5-7-15/h3-8,12-13H,9-11,14H2,1-2H3,(H,23,24,26).
What are the key properties of 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one?
6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one has a molecular weight of 377.44 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135415476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).