(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

C24H20N4O4S — CID 27913355

IUPAC(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESNc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)nc2ccccc12
InChIInChI=1S/C24H20N4O4S/c25-23-19-9-2-3-10-20(19)26-22(27-23)15-32-24(29)17-7-5-8-18(14-17)33(30,31)28-13-12-16-6-1-4-11-21(16)28/h1-11,14H,12-13,15H2,(H2,25,26,27)
InChIKeyLSOWYGMWINUOHC-UHFFFAOYSA-N
MW460.52 g/mol
LogP3.32
Rot. Bonds5

About (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (PubChem CID 27913355) has the molecular formula C24H20N4O4S and a molecular weight of 460.52 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
PubChem CID27913355
Molecular FormulaC24H20N4O4S
Molecular Weight460.52 g/mol
Exact Mass460.12
IUPAC Name(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
SMILESNc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)nc2ccccc12
InChIInChI=1S/C24H20N4O4S/c25-23-19-9-2-3-10-20(19)26-22(27-23)15-32-24(29)17-7-5-8-18(14-17)33(30,31)28-13-12-16-6-1-4-11-21(16)28/h1-11,14H,12-13,15H2,(H2,25,26,27)
InChIKeyLSOWYGMWINUOHC-UHFFFAOYSA-N
XLogP3.32
TPSA115.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 55453230
pyridin-2-ylmethyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 40711757
(2,6-dichlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2406084
(2-chlorophenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551424
2-oxopropyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 5122086
(2-anilino-2-oxoethyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2551453
1,3-benzodioxol-5-ylmethyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2115188
[2-(methylamino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8663402
(3-morpholin-4-ylsulfonylphenyl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2103147
(4-methoxyphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 8881484
(4-benzoylphenyl) 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 2407728
[2-(3-bromophenyl)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate
CID 23960074

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate (CID 27913355) is (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is Nc1nc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)nc2ccccc12.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
The InChIKey is LSOWYGMWINUOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O4S/c25-23-19-9-2-3-10-20(19)26-22(27-23)15-32-24(29)17-7-5-8-18(14-17)33(30,31)28-13-12-16-6-1-4-11-21(16)28/h1-11,14H,12-13,15H2,(H2,25,26,27).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate?
(4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate has a molecular weight of 460.52 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate is sourced from PubChem (CID 27913355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).