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

C23H25N3O — CID 135531195

IUPAC8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C23H25N3O/c1-17-7-5-10-20-22(17)24-21(25-23(20)27)11-6-14-26-15-12-19(13-16-26)18-8-3-2-4-9-18/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyAGCKHWQMNGDPJJ-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.95
Rot. Bonds5

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

8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (PubChem CID 135531195) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
PubChem CID135531195
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC Name8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one
SMILESCc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12
InChIInChI=1S/C23H25N3O/c1-17-7-5-10-20-22(17)24-21(25-23(20)27)11-6-14-26-15-12-19(13-16-26)18-8-3-2-4-9-18/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27)
InChIKeyAGCKHWQMNGDPJJ-UHFFFAOYSA-N
XLogP3.95
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

8-methyl-2-pentyl-3H-quinazolin-4-one
CID 137279746
1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]quinazoline-2,4-dione
CID 19087731
4-methyl-1-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]benzimidazole
CID 70063002
4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-2H-phthalazin-1-one
CID 10237099
2-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-phenanthridin-6-one
CID 10150882
3-methyl-4-[(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-2H-isoquinolin-1-one
CID 23084760
2-(hydroxymethyl)-8-methyl-3H-quinazolin-4-one
CID 135726664
2-methyl-4-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indole
CID 70483326
1-butyl-4-phenyl-3,6-dihydro-2H-pyridine;hydrochloride
CID 3031486
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
2-[[1-(3-hydroxypropyl)piperidin-4-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 142611388
2-[[1-(3-aminopropyl)piperidin-4-yl]sulfanylmethyl]-8-methyl-3H-quinazolin-4-one
CID 138696319

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The IUPAC name of 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one (CID 135531195) is 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one.
What is the SMILES notation for 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The canonical SMILES for 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is Cc1cccc2c(=O)[nH]c(CCCN3CC=C(c4ccccc4)CC3)nc12.
What is the InChIKey of 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
The InChIKey is AGCKHWQMNGDPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-17-7-5-10-20-22(17)24-21(25-23(20)27)11-6-14-26-15-12-19(13-16-26)18-8-3-2-4-9-18/h2-5,7-10,12H,6,11,13-16H2,1H3,(H,24,25,27).
What are the key properties of 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one?
8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one has a molecular weight of 359.47 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).