3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one

C28H26N6O — CID 3175316

IUPAC3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1C
InChIInChI=1S/C28H26N6O/c1-18-12-13-22-16-23(28(35)29-25(22)19(18)2)26(33-15-14-21-10-6-7-11-24(21)33)27-30-31-32-34(27)17-20-8-4-3-5-9-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,29,35)
InChIKeyAXPOCYIUOWIDLY-UHFFFAOYSA-N
MW462.56 g/mol
LogP4.33
Rot. Bonds5

About 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one

3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (PubChem CID 3175316) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
PubChem CID3175316
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one
SMILESCc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1C
InChIInChI=1S/C28H26N6O/c1-18-12-13-22-16-23(28(35)29-25(22)19(18)2)26(33-15-14-21-10-6-7-11-24(21)33)27-30-31-32-34(27)17-20-8-4-3-5-9-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,29,35)
InChIKeyAXPOCYIUOWIDLY-UHFFFAOYSA-N
XLogP4.33
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.56
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-[[cyclopentyl-[[1-(phenylmethyl)-5-tetrazolyl]methyl]amino]methyl]-8-methyl-1H-quinolin-2-one
CID 644452
3-{[[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 645858
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-morpholin-4-yl-methyl]-5,8-dimethyl-1H-quinolin-2-one
CID 646526
3-{[Cyclohexyl-(1-cyclopentyl-1H-tetrazol-5-ylmethyl)-amino]-methyl}-6-methyl-1H-quinolin-2-one
CID 647067
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647382
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-methyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647547
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-ethyl-piperazin-1-yl)-methyl]-8-methyl-1H-quinolin-2-one
CID 647943
3-{[(1-Benzyl-1H-tetrazol-5-ylmethyl)-(2-hydroxy-ethyl)-amino]-methyl}-5,7-dimethyl-1H-quinolin-2-one
CID 648352
3-[(1-Benzyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 648363
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(7,8-dimethyl-2-oxo-1,2-dihydro-quinolin-3-yl)-methyl]-piperidine-4-carboxylic acid ethyl ester
CID 649898
3-[(1-Cyclopentyl-1H-tetrazol-5-yl)-(4-phenyl-piperazin-1-yl)-methyl]-7-methyl-1H-quinolin-2-one
CID 650853
3-{[1-(1,1-Dimethyl-propyl)-1H-tetrazol-5-yl]-pyrrolidin-1-yl-methyl}-6,8-dimethyl-1H-quinolin-2-one
CID 651757

Frequently Asked Questions

What is the IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The IUPAC name of 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one (CID 3175316) is 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one is Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(=O)[nH]c2c1C.
What is the InChIKey of 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?
The InChIKey is AXPOCYIUOWIDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-18-12-13-22-16-23(28(35)29-25(22)19(18)2)26(33-15-14-21-10-6-7-11-24(21)33)27-30-31-32-34(27)17-20-8-4-3-5-9-20/h3-13,16,26H,14-15,17H2,1-2H3,(H,29,35).
What are the key properties of 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one?
3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one has a molecular weight of 462.56 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-benzyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7,8-dimethyl-1H-quinolin-2-one is sourced from PubChem (CID 3175316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).