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

C23H25N3O2 — CID 135496193

IUPAC8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C23H25N3O2/c1-28-20-10-5-9-19-22(20)24-21(25-23(19)27)11-6-14-26-15-12-18(13-16-26)17-7-3-2-4-8-17/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyNIJHFZZPGQHQSK-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.65
Rot. Bonds6

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

8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (PubChem CID 135496193) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
PubChem CID135496193
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCOc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C23H25N3O2/c1-28-20-10-5-9-19-22(20)24-21(25-23(19)27)11-6-14-26-15-12-18(13-16-26)17-7-3-2-4-8-17/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyNIJHFZZPGQHQSK-UHFFFAOYSA-N
XLogP3.65
TPSA58.22 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 ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (CID 135496193) is 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is COc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12.
What is the InChIKey of 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The InChIKey is NIJHFZZPGQHQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-28-20-10-5-9-19-22(20)24-21(25-23(19)27)11-6-14-26-15-12-18(13-16-26)17-7-3-2-4-8-17/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27).
What are the key properties of 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one has a molecular weight of 375.47 g/mol, XLogP of 3.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135496193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).