(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

C26H25N3O2 — CID 41457149

IUPAC(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C26H25N3O2/c1-2-3-11-18-28-23-17-10-8-15-21(23)26(25(28)31)27-22-16-9-7-14-20(22)24(30)29(26)19-12-5-4-6-13-19/h4-10,12-17,27H,2-3,11,18H2,1H3/t26-/m0/s1
InChIKeyYPMFIAPJFSJZLS-SANMLTNESA-N
MW411.51 g/mol
LogP5.15
Rot. Bonds5

About (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 41457149) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID41457149
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCCCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21
InChIInChI=1S/C26H25N3O2/c1-2-3-11-18-28-23-17-10-8-15-21(23)26(25(28)31)27-22-16-9-7-14-20(22)24(30)29(26)19-12-5-4-6-13-19/h4-10,12-17,27H,2-3,11,18H2,1H3/t26-/m0/s1
InChIKeyYPMFIAPJFSJZLS-SANMLTNESA-N
XLogP5.15
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 1045960
3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
(2R)-3-(2-morpholin-4-ylethyl)-1'-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881457
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
(2R)-1'-pentylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 41452929
1'-dodecylspiro[1,3-dioxolane-2,3'-indole]-2'-one
CID 18889643
(3S)-1-hexyl-3-hydroxy-3-[(2S)-2-hydroxypropyl]indol-2-one
CID 9177416
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
3-ethyl-2-pentyl-2-phenyl-1H-quinazolin-4-one
CID 54778185

Frequently Asked Questions

What is the IUPAC name of (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 41457149) is (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CCCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21.
What is the InChIKey of (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is YPMFIAPJFSJZLS-SANMLTNESA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-3-11-18-28-23-17-10-8-15-21(23)26(25(28)31)27-22-16-9-7-14-20(22)24(30)29(26)19-12-5-4-6-13-19/h4-10,12-17,27H,2-3,11,18H2,1H3/t26-/m0/s1.
What are the key properties of (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 411.51 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 41457149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).