methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate

C19H17N3O3 — CID 167108795

IUPACmethyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate
SMILESCOC(=O)C1=NC2(Nc3ccc(C)cc31)C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C19H17N3O3/c1-10-4-6-14-12(8-10)16(17(23)25-3)22-19(21-14)13-9-11(2)5-7-15(13)20-18(19)24/h4-9,21H,1-3H3,(H,20,24)
InChIKeyKOUXYWSPAAOXHY-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.50
Rot. Bonds1

About methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate

methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate (PubChem CID 167108795) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate.

Molecular Properties

Compound Namemethyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate
PubChem CID167108795
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemethyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate
SMILESCOC(=O)C1=NC2(Nc3ccc(C)cc31)C(=O)Nc1ccc(C)cc12
InChIInChI=1S/C19H17N3O3/c1-10-4-6-14-12(8-10)16(17(23)25-3)22-19(21-14)13-9-11(2)5-7-15(13)20-18(19)24/h4-9,21H,1-3H3,(H,20,24)
InChIKeyKOUXYWSPAAOXHY-UHFFFAOYSA-N
XLogP2.50
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate with MolForge

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Related Compounds

methyl 4-methyl-2-[(4R)-4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl]benzoate
CID 76956997
methyl (3R)-6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 684935
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055
tetramethyl 5',5',9'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
CID 2835222
5'-(2-hydroxyphenyl)-5-methylspiro[1H-indole-3,2'-3H-1,3,4-thiadiazole]-2-one
CID 3643744
(3S)-3-(3,4-dimethoxyphenyl)-3-hydroxy-5-methyl-1H-indol-2-one
CID 7333291
methyl 2-bromo-5-methylbenzoate
CID 15110996
methyl 7-bromo-2-oxo-1,3-dihydro-1,4-benzodiazepine-5-carboxylate
CID 11150643
methyl 5-methyl-2-(4-methylphenyl)benzoate
CID 22125905
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
CID 175639660
(3R)-3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-5-methyl-1H-indol-2-one
CID 957709
(3R)-3-hydroxy-5-methyl-3-phenacyl-1H-indol-2-one
CID 682358

Frequently Asked Questions

What is the IUPAC name of methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate?
The IUPAC name of methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate (CID 167108795) is methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate.
What is the SMILES notation for methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate?
The canonical SMILES for methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate is COC(=O)C1=NC2(Nc3ccc(C)cc31)C(=O)Nc1ccc(C)cc12.
What is the InChIKey of methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate?
The InChIKey is KOUXYWSPAAOXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-10-4-6-14-12(8-10)16(17(23)25-3)22-19(21-14)13-9-11(2)5-7-15(13)20-18(19)24/h4-9,21H,1-3H3,(H,20,24).
What are the key properties of methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate?
methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5,6'-dimethyl-2-oxospiro[1H-indole-3,2'-1H-quinazoline]-4'-carboxylate is sourced from PubChem (CID 167108795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).