6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione

C25H23N3O3 — CID 4984545

IUPAC6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc2c(c1)CC1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2
InChIInChI=1S/C25H23N3O3/c1-31-19-11-12-21-18(15-19)16-25(24(30)26-21)27-22-10-6-5-9-20(22)23(29)28(25)14-13-17-7-3-2-4-8-17/h2-12,15,27H,13-14,16H2,1H3,(H,26,30)
InChIKeyOKTPFURFYDHYDZ-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.70
Rot. Bonds4

About 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione

6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 4984545) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID4984545
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccc2c(c1)CC1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2
InChIInChI=1S/C25H23N3O3/c1-31-19-11-12-21-18(15-19)16-25(24(30)26-21)27-22-10-6-5-9-20(22)23(29)28(25)14-13-17-7-3-2-4-8-17/h2-12,15,27H,13-14,16H2,1H3,(H,26,30)
InChIKeyOKTPFURFYDHYDZ-UHFFFAOYSA-N
XLogP3.70
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione with MolForge

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Related Compounds

2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778568
2-methyl-2-phenyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778614
2-methyl-3-(2-phenylethyl)-2-(4-phenylmethoxyphenyl)-1H-quinazolin-4-one
CID 54780145
2-ethyl-2-[4-(2-phenylethoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54780506
2-methyl-3-(2-phenylethyl)-2-(3-propoxyphenyl)-1H-quinazolin-4-one
CID 54779214
2-methyl-3-(2-phenylethyl)-2-thiophen-2-yl-1H-quinazolin-4-one
CID 54778517
3-methoxy-6,11-dihydrobenzo[b][1]benzazepin-5-one
CID 175999175
5-methoxy-1-(2-phenylethyl)indole-2,3-dione
CID 61355458
7-methoxy-3-(2-phenylethyl)-1,2,4,5-tetrahydro-3-benzazepine
CID 23331334
(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
CID 755391
3-benzyl-2-methyl-2-[4-(3-phenylpropoxy)phenyl]-1H-quinazolin-4-one
CID 54780494
2-methyl-2-[2-(2-methylpropoxy)phenyl]-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54779009

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione (CID 4984545) is 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione is COc1ccc2c(c1)CC1(Nc3ccccc3C(=O)N1CCc1ccccc1)C(=O)N2.
What is the InChIKey of 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is OKTPFURFYDHYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-31-19-11-12-21-18(15-19)16-25(24(30)26-21)27-22-10-6-5-9-20(22)23(29)28(25)14-13-17-7-3-2-4-8-17/h2-12,15,27H,13-14,16H2,1H3,(H,26,30).
What are the key properties of 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione?
6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 413.48 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3'-(2-phenylethyl)spiro[1,4-dihydroquinoline-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 4984545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).