(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C18H17N3O2 — CID 94178883

IUPAC(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCc1cc(C)c2c(c1)[C@]1(Nc3ccccc3C(=O)N1C)C(=O)N2
InChIInChI=1S/C18H17N3O2/c1-10-8-11(2)15-13(9-10)18(17(23)19-15)20-14-7-5-4-6-12(14)16(22)21(18)3/h4-9,20H,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyZMWLAEACUBMRML-GOSISDBHSA-N
MW307.35 g/mol
LogP2.61
Rot. Bonds

About (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 94178883) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID94178883
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCc1cc(C)c2c(c1)[C@]1(Nc3ccccc3C(=O)N1C)C(=O)N2
InChIInChI=1S/C18H17N3O2/c1-10-8-11(2)15-13(9-10)18(17(23)19-15)20-14-7-5-4-6-12(14)16(22)21(18)3/h4-9,20H,1-3H3,(H,19,23)/t18-/m1/s1
InChIKeyZMWLAEACUBMRML-GOSISDBHSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 94178883) is (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is Cc1cc(C)c2c(c1)[C@]1(Nc3ccccc3C(=O)N1C)C(=O)N2.
What is the InChIKey of (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is ZMWLAEACUBMRML-GOSISDBHSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-10-8-11(2)15-13(9-10)18(17(23)19-15)20-14-7-5-4-6-12(14)16(22)21(18)3/h4-9,20H,1-3H3,(H,19,23)/t18-/m1/s1.
What are the key properties of (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 307.35 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3',5,7-trimethylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 94178883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).