(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione

C29H22FN3O2 — CID 1045960

IUPAC(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1
InChIInChI=1S/C29H22FN3O2/c1-19-14-16-21(17-15-19)33-27(34)22-9-3-6-12-25(22)31-29(33)23-10-4-7-13-26(23)32(28(29)35)18-20-8-2-5-11-24(20)30/h2-17,31H,18H2,1H3/t29-/m1/s1
InChIKeyUKWYBAWNVISRHK-GDLZYMKVSA-N
MW463.51 g/mol
LogP5.61
Rot. Bonds3

About (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione

(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 1045960) has the molecular formula C29H22FN3O2 and a molecular weight of 463.51 g/mol. Its IUPAC name is (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID1045960
Molecular FormulaC29H22FN3O2
Molecular Weight463.51 g/mol
Exact Mass463.17
IUPAC Name(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1
InChIInChI=1S/C29H22FN3O2/c1-19-14-16-21(17-15-19)33-27(34)22-9-3-6-12-25(22)31-29(33)23-10-4-7-13-26(23)32(28(29)35)18-20-8-2-5-11-24(20)30/h2-17,31H,18H2,1H3/t29-/m1/s1
InChIKeyUKWYBAWNVISRHK-GDLZYMKVSA-N
XLogP5.61
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.51
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione with MolForge

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Related Compounds

3-(4-chlorophenyl)-1'-[(2-fluorophenyl)methyl]spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 91962328
(2S)-1'-pentyl-3-phenylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457149
(2R)-3-(4-ethoxyphenyl)-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 42583440
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
(2S)-2-ethyl-2-methyl-3-(4-methylphenyl)-1H-quinazolin-4-one
CID 29102767
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 91962578
(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
7-chloro-3'-(4-fluorophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 16766147
3-benzylsulfanyl-1-[(2-fluorophenyl)methyl]-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110572890

Frequently Asked Questions

What is the IUPAC name of (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 1045960) is (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is Cc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1.
What is the InChIKey of (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is UKWYBAWNVISRHK-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H22FN3O2/c1-19-14-16-21(17-15-19)33-27(34)22-9-3-6-12-25(22)31-29(33)23-10-4-7-13-26(23)32(28(29)35)18-20-8-2-5-11-24(20)30/h2-17,31H,18H2,1H3/t29-/m1/s1.
What are the key properties of (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 463.51 g/mol, XLogP of 5.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1'-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 1045960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).