(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

C21H17N3O3 — CID 29109792

IUPAC(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccco2)c2ccccc21
InChIInChI=1S/C21H17N3O3/c1-23-18-11-5-3-9-16(18)21(20(23)26)22-17-10-4-2-8-15(17)19(25)24(21)13-14-7-6-12-27-14/h2-12,22H,13H2,1H3/t21-/m1/s1
InChIKeyAHXUWVHGJWJJER-OAQYLSRUSA-N
MW359.38 g/mol
LogP3.18
Rot. Bonds2

About (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione

(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (PubChem CID 29109792) has the molecular formula C21H17N3O3 and a molecular weight of 359.38 g/mol. Its IUPAC name is (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.

Molecular Properties

Compound Name(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
PubChem CID29109792
Molecular FormulaC21H17N3O3
Molecular Weight359.38 g/mol
Exact Mass359.13
IUPAC Name(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
SMILESCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccco2)c2ccccc21
InChIInChI=1S/C21H17N3O3/c1-23-18-11-5-3-9-16(18)21(20(23)26)22-17-10-4-2-8-15(17)19(25)24(21)13-14-7-6-12-27-14/h2-12,22H,13H2,1H3/t21-/m1/s1
InChIKeyAHXUWVHGJWJJER-OAQYLSRUSA-N
XLogP3.18
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
(2R)-3-[(4-methoxyphenyl)methyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881455
(2R)-3-[(2R)-2-(dimethylamino)-2-phenylethyl]-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 51717405
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779725
(2R)-3-benzyl-1'-ethylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 41457150
3-(furan-2-ylmethyl)-2-phenyl-2-propyl-1H-quinazolin-4-one
CID 54779759
3-(furan-2-ylmethyl)-2-methyl-2-[2-(2-phenoxyethoxy)phenyl]-1H-quinazolin-4-one
CID 54780836
(2R)-3-(3-methoxyphenyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52507364
(2R)-1'-benzyl-3-(2-methoxyethyl)spiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 52512911
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
(2R)-3-(2-morpholin-4-ylethyl)-1'-propylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 95881457
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The IUPAC name of (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione (CID 29109792) is (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione.
What is the SMILES notation for (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The canonical SMILES for (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2Cc2ccco2)c2ccccc21.
What is the InChIKey of (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
The InChIKey is AHXUWVHGJWJJER-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-23-18-11-5-3-9-16(18)21(20(23)26)22-17-10-4-2-8-15(17)19(25)24(21)13-14-7-6-12-27-14/h2-12,22H,13H2,1H3/t21-/m1/s1.
What are the key properties of (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione?
(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione has a molecular weight of 359.38 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione is sourced from PubChem (CID 29109792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).