3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

C18H17N3O2 — CID 54777947

IUPAC3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCC(C)N1C(=O)c2ccccc2NC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H17N3O2/c1-11(2)21-16(22)12-7-3-5-9-14(12)20-18(21)13-8-4-6-10-15(13)19-17(18)23/h3-11,20H,1-2H3,(H,19,23)
InChIKeyYDAMLSBOSDZDSX-UHFFFAOYSA-N
MW307.35 g/mol
LogP2.77
Rot. Bonds1

About 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione

3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (PubChem CID 54777947) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.

Molecular Properties

Compound Name3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
PubChem CID54777947
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
SMILESCC(C)N1C(=O)c2ccccc2NC12C(=O)Nc1ccccc12
InChIInChI=1S/C18H17N3O2/c1-11(2)21-16(22)12-7-3-5-9-14(12)20-18(21)13-8-4-6-10-15(13)19-17(18)23/h3-11,20H,1-2H3,(H,19,23)
InChIKeyYDAMLSBOSDZDSX-UHFFFAOYSA-N
XLogP2.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3'-(4-bromophenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 102480512
(3S)-3'-cyclohexylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 704651
(3R)-3'-[2-(2-methoxyphenyl)ethyl]spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51719571
5-fluoro-3'-(4-methoxyphenyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 139218295
(3S)-3'-(furan-2-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 29109789
3'-(4-fluorophenyl)-7-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 91962578
3'-(4-fluorophenyl)-7-methylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 71835307
2-(2-ethoxyphenyl)-2-methyl-3-propan-2-yl-1H-quinazolin-4-one
CID 54777902
(3S)-3'-(1,3-benzodioxol-5-ylmethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 51717202
(3S)-3'-cyclopropyl-6-methoxyspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94572005
(3S)-6-fluoro-3'-(2-methoxyethyl)spiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione
CID 94182883
3-butan-2-yl-2,2-dimethyl-1H-quinazolin-4-one
CID 54779141

Frequently Asked Questions

What is the IUPAC name of 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The IUPAC name of 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione (CID 54777947) is 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione.
What is the SMILES notation for 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The canonical SMILES for 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is CC(C)N1C(=O)c2ccccc2NC12C(=O)Nc1ccccc12.
What is the InChIKey of 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
The InChIKey is YDAMLSBOSDZDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11(2)21-16(22)12-7-3-5-9-14(12)20-18(21)13-8-4-6-10-15(13)19-17(18)23/h3-11,20H,1-2H3,(H,19,23).
What are the key properties of 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione?
3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione has a molecular weight of 307.35 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-propan-2-ylspiro[1H-indole-3,2'-1H-quinazoline]-2,4'-dione is sourced from PubChem (CID 54777947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).