6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C23H29N3O — CID 135960847

IUPAC6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H29N3O/c1-17-9-10-21-20(16-17)23(27)25-22(24-21)8-5-13-26-14-11-19(12-15-26)18-6-3-2-4-7-18/h2-4,6-7,11,17H,5,8-10,12-16H2,1H3,(H,24,25,27)
InChIKeyFHITVFDYWLZSRT-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.62
Rot. Bonds5

About 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 135960847) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID135960847
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCC1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1
InChIInChI=1S/C23H29N3O/c1-17-9-10-21-20(16-17)23(27)25-22(24-21)8-5-13-26-14-11-19(12-15-26)18-6-3-2-4-7-18/h2-4,6-7,11,17H,5,8-10,12-16H2,1H3,(H,24,25,27)
InChIKeyFHITVFDYWLZSRT-UHFFFAOYSA-N
XLogP3.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one with MolForge

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Related Compounds

2-[(Dimethylamino)methyl]-5,5-diethyl-5,6-dihydrobenzo[h]quinazolin-4-ol
CID 135400164
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 135960846
2,3,6-trimethyl-5-phenylpyrimidin-4(3H)-one
CID 776568
2,6-Dimethyl-5-phenyl-3H-pyrimidin-4-one
CID 135407240
1-benzyl-2,6-dimethyl-5-phenyl-4(1H)-pyrimidinone
CID 781510
2-[3-(4-Phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 9884838
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,4a,5,6,7,7a-hexahydrocyclopenta[d]pyrimidin-4-one
CID 44403364
2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-3,4a,5,6,7,8,9,9a-octahydrocyclohepta[d]pyrimidin-4-one
CID 44403373
6-Methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-propyl]-4a,5,6,7,8,8a-hexahydro-3H-quinazolin-4-one
CID 44403390
2-(Diethylaminomethyl)-4-spiro[1,6-dihydrobenzo[h]quinazoline-5,1'-cyclohexane]one
CID 135450618
6-Methyl-2-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472864
2-Methyl-6-[(4-phenylpiperidino)methyl]-4-pyrimidinol
CID 135472878

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 135960847) is 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CC1CCc2nc(CCCN3CC=C(c4ccccc4)CC3)[nH]c(=O)c2C1.
What is the InChIKey of 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is FHITVFDYWLZSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-17-9-10-21-20(16-17)23(27)25-22(24-21)8-5-13-26-14-11-19(12-15-26)18-6-3-2-4-7-18/h2-4,6-7,11,17H,5,8-10,12-16H2,1H3,(H,24,25,27).
What are the key properties of 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 363.51 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 135960847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).