3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one

C24H26N6O2 — CID 3187798

IUPAC3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)30-22(26-27-28-30)21(29-12-11-15-7-5-6-8-20(15)29)18-13-16-9-10-17(32-4)14-19(16)25-23(18)31/h5-10,13-14,21H,11-12H2,1-4H3,(H,25,31)
InChIKeyXTOURGIZZKSCTP-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.43
Rot. Bonds4

About 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one

3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one (PubChem CID 3187798) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
PubChem CID3187798
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one
SMILESCOc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1
InChIInChI=1S/C24H26N6O2/c1-24(2,3)30-22(26-27-28-30)21(29-12-11-15-7-5-6-8-20(15)29)18-13-16-9-10-17(32-4)14-19(16)25-23(18)31/h5-10,13-14,21H,11-12H2,1-4H3,(H,25,31)
InChIKeyXTOURGIZZKSCTP-UHFFFAOYSA-N
XLogP3.43
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one with MolForge

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Related Compounds

3-[2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 647208
3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3150308
3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 1160049
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methoxy-1H-quinolin-2-one
CID 3183257
3-[(1-tert-butyltetrazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methyl]-6-ethyl-1H-quinolin-2-one
CID 3150036
3-[(R)-3,4-dihydro-2H-quinolin-1-yl-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-7-methoxy-1H-quinolin-2-one
CID 1146010
3-[2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 3183170
7-[(R)-2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 6551337
3-[(R)-2,3-dihydroindol-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157666
3-[3,4-dihydro-2H-quinolin-1-yl-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 3183457
3-[(S)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-methyl-1H-quinolin-2-one
CID 1157669
3-[(R)-2,3-dihydroindol-1-yl-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-6-ethoxy-1H-quinolin-2-one
CID 1160335

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one?
The IUPAC name of 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one (CID 3187798) is 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one.
What is the SMILES notation for 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one?
The canonical SMILES for 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one is COc1ccc2cc(C(c3nnnn3C(C)(C)C)N3CCc4ccccc43)c(=O)[nH]c2c1.
What is the InChIKey of 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one?
The InChIKey is XTOURGIZZKSCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-24(2,3)30-22(26-27-28-30)21(29-12-11-15-7-5-6-8-20(15)29)18-13-16-9-10-17(32-4)14-19(16)25-23(18)31/h5-10,13-14,21H,11-12H2,1-4H3,(H,25,31).
What are the key properties of 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one?
3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]-7-methoxy-1H-quinolin-2-one is sourced from PubChem (CID 3187798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).