(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione

C16H13N3O3 — CID 755391

IUPAC(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
SMILESCOc1ccc2c(c1)[C@@]1(NC(=O)c3ccccc3N1)C(=O)N2
InChIInChI=1S/C16H13N3O3/c1-22-9-6-7-13-11(8-9)16(15(21)17-13)18-12-5-3-2-4-10(12)14(20)19-16/h2-8,18H,1H3,(H,17,21)(H,19,20)/t16-/m1/s1
InChIKeyULFPRSXGJFRYCQ-MRXNPFEDSA-N
MW295.30 g/mol
LogP1.66
Rot. Bonds1

About (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione

(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione (PubChem CID 755391) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
PubChem CID755391
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione
SMILESCOc1ccc2c(c1)[C@@]1(NC(=O)c3ccccc3N1)C(=O)N2
InChIInChI=1S/C16H13N3O3/c1-22-9-6-7-13-11(8-9)16(15(21)17-13)18-12-5-3-2-4-10(12)14(20)19-16/h2-8,18H,1H3,(H,17,21)(H,19,20)/t16-/m1/s1
InChIKeyULFPRSXGJFRYCQ-MRXNPFEDSA-N
XLogP1.66
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione?
The IUPAC name of (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione (CID 755391) is (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione.
What is the SMILES notation for (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione?
The canonical SMILES for (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione is COc1ccc2c(c1)[C@@]1(NC(=O)c3ccccc3N1)C(=O)N2.
What is the InChIKey of (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione?
The InChIKey is ULFPRSXGJFRYCQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-9-6-7-13-11(8-9)16(15(21)17-13)18-12-5-3-2-4-10(12)14(20)19-16/h2-8,18H,1H3,(H,17,21)(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione?
(2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione has a molecular weight of 295.30 g/mol, XLogP of 1.66, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5'-methoxyspiro[1,3-dihydroquinazoline-2,3'-1H-indole]-2',4-dione is sourced from PubChem (CID 755391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).