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

C20H15N3O3 — CID 29109789

IUPAC(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1Cc1ccco1
InChIInChI=1S/C20H15N3O3/c24-18-14-7-1-3-9-16(14)22-20(23(18)12-13-6-5-11-26-13)15-8-2-4-10-17(15)21-19(20)25/h1-11,22H,12H2,(H,21,25)/t20-/m0/s1
InChIKeyLVVBMRMARYGMHX-FQEVSTJZSA-N
MW345.36 g/mol
LogP3.15
Rot. Bonds2

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

(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 29109789) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID29109789
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC Name(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESO=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1Cc1ccco1
InChIInChI=1S/C20H15N3O3/c24-18-14-7-1-3-9-16(14)22-20(23(18)12-13-6-5-11-26-13)15-8-2-4-10-17(15)21-19(20)25/h1-11,22H,12H2,(H,21,25)/t20-/m0/s1
InChIKeyLVVBMRMARYGMHX-FQEVSTJZSA-N
XLogP3.15
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione with MolForge

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Related Compounds

(2R)-3-(furan-2-ylmethyl)-1'-methylspiro[1H-quinazoline-2,3'-indole]-2',4-dione
CID 29109792
2-cyclopropyl-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779725
(3S)-3'-(1,3-benzodioxol-5-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51717202
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
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 54777947
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
2-(4-butoxyphenyl)-3-(furan-2-ylmethyl)-2-methyl-1H-quinazolin-4-one
CID 54779726
3-(furan-2-ylmethyl)-2-methyl-2-[2-(oxolan-2-ylmethoxy)phenyl]-1H-quinazolin-4-one
CID 54777688
(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
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651

Frequently Asked Questions

What is the IUPAC name of (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 29109789) is (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1Cc1ccco1.
What is the InChIKey of (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is LVVBMRMARYGMHX-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H15N3O3/c24-18-14-7-1-3-9-16(14)22-20(23(18)12-13-6-5-11-26-13)15-8-2-4-10-17(15)21-19(20)25/h1-11,22H,12H2,(H,21,25)/t20-/m0/s1.
What are the key properties of (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 345.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 29109789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).