(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C24H21N3O3 — CID 51719571

IUPAC(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccccc1CCN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H21N3O3/c1-30-21-13-7-2-8-16(21)14-15-27-22(28)17-9-3-5-11-19(17)26-24(27)18-10-4-6-12-20(18)25-23(24)29/h2-13,26H,14-15H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyASLBQHSTYMQDKW-XMMPIXPASA-N
MW399.45 g/mol
LogP3.61
Rot. Bonds4

About (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 51719571) has the molecular formula C24H21N3O3 and a molecular weight of 399.45 g/mol. Its IUPAC name is (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID51719571
Molecular FormulaC24H21N3O3
Molecular Weight399.45 g/mol
Exact Mass399.16
IUPAC Name(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCOc1ccccc1CCN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12
InChIInChI=1S/C24H21N3O3/c1-30-21-13-7-2-8-16(21)14-15-27-22(28)17-9-3-5-11-19(17)26-24(27)18-10-4-6-12-20(18)25-23(24)29/h2-13,26H,14-15H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyASLBQHSTYMQDKW-XMMPIXPASA-N
XLogP3.61
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94182883
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
3-ethyl-2-(2-methoxyphenyl)-2-methyl-1H-quinazolin-4-one
CID 54778006
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
(3S)-3'-(1,3-benzodioxol-5-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51717202
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
5-methyl-3'-prop-2-enylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 78788427
2-(2,4-dimethoxyphenyl)-2-methyl-3-(2-phenylethyl)-1H-quinazolin-4-one
CID 54778568
4-[2-(2-methoxyphenyl)ethyl]piperazine-2,6-dione
CID 82118888
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295

Frequently Asked Questions

What is the IUPAC name of (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 51719571) is (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is COc1ccccc1CCN1C(=O)c2ccccc2N[C@@]12C(=O)Nc1ccccc12.
What is the InChIKey of (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is ASLBQHSTYMQDKW-XMMPIXPASA-N. The full InChI is InChI=1S/C24H21N3O3/c1-30-21-13-7-2-8-16(21)14-15-27-22(28)17-9-3-5-11-19(17)26-24(27)18-10-4-6-12-20(18)25-23(24)29/h2-13,26H,14-15H2,1H3,(H,25,29)/t24-/m1/s1.
What are the key properties of (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 399.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 51719571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).