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

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

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Related Compounds

CID 11559627
CID 11559627
CID 135439437
CID 135439437
CID 135539400
CID 135539400
CID 23631116
CID 23631116
CID 135411146
CID 135411146
CID 135417274
CID 135417274
CID 135513721
CID 135513721
CID 135566625
CID 135566625
CID 135566794
CID 135566794
CID 135566972
CID 135566972
CID 11517340
CID 11517340
CID 23151224
CID 23151224

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).