5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione

C24H24F3N3O2 — CID 12044126

IUPAC5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione
SMILESCc1cccc2[nH]c(=O)n(CCCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)c(=O)c12
InChIInChI=1S/C24H24F3N3O2/c1-16-5-2-8-20-21(16)22(31)30(23(32)28-20)12-4-11-29-13-9-17(10-14-29)18-6-3-7-19(15-18)24(25,26)27/h2-3,5-9,15H,4,10-14H2,1H3,(H,28,32)
InChIKeyKIFKXYNLWRSJEV-UHFFFAOYSA-N
MW443.47 g/mol
LogP4.20
Rot. Bonds5

About 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione

5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione (PubChem CID 12044126) has the molecular formula C24H24F3N3O2 and a molecular weight of 443.47 g/mol. Its IUPAC name is 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione
PubChem CID12044126
Molecular FormulaC24H24F3N3O2
Molecular Weight443.47 g/mol
Exact Mass443.18
IUPAC Name5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione
SMILESCc1cccc2[nH]c(=O)n(CCCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)c(=O)c12
InChIInChI=1S/C24H24F3N3O2/c1-16-5-2-8-20-21(16)22(31)30(23(32)28-20)12-4-11-29-13-9-17(10-14-29)18-6-3-7-19(15-18)24(25,26)27/h2-3,5-9,15H,4,10-14H2,1H3,(H,28,32)
InChIKeyKIFKXYNLWRSJEV-UHFFFAOYSA-N
XLogP4.20
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione with MolForge

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Related Compounds

Ketanserin
CID 3822
3-Propyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 4344644
2-(4-(dimethylamino)phenyl)-2,3-dihydroquinazolin-4(1H)-one
CID 3157451
2,3-Dihydro-2-(3-methylphenyl)-4(1H)-quinazolinone
CID 292559
5-Fluoro-1-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-YL)butyl]quinazoline-2,4(1H,3H)-dione
CID 448890
trans-N-Benzyl-4-((1-((2-cyanophenyl)methyl)-2,4-dioxo-1,2-dihydroquinazolin-3(4H)-yl)methyl)cyclohexanecarboxamide
CID 15993586
2-(4-Phenylphenyl)-1,2,3,4-tetrahydroquinazolin-4-one
CID 4793207
Nsc158383
CID 292556
3-ethylquinazoline-2,4(1H,3H)-dione
CID 747439
3-Phenylquinazoline-2,4-dione
CID 242637
3-Methyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
CID 344385
3-(4-(4-(4-Fluorobenzoyl)-1-piperidinyl)butyl)-2,4(1H,3H)-quinazolinedione
CID 65652

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione?
The IUPAC name of 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione (CID 12044126) is 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione.
What is the SMILES notation for 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione?
The canonical SMILES for 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione is Cc1cccc2[nH]c(=O)n(CCCN3CC=C(c4cccc(C(F)(F)F)c4)CC3)c(=O)c12.
What is the InChIKey of 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione?
The InChIKey is KIFKXYNLWRSJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2/c1-16-5-2-8-20-21(16)22(31)30(23(32)28-20)12-4-11-29-13-9-17(10-14-29)18-6-3-7-19(15-18)24(25,26)27/h2-3,5-9,15H,4,10-14H2,1H3,(H,28,32).
What are the key properties of 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione?
5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione has a molecular weight of 443.47 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-[4-[3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]propyl]-1H-quinazoline-2,4-dione is sourced from PubChem (CID 12044126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).