6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline

C23H24N6 — CID 1438518

IUPAC6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline
SMILESCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCc2ccccc21
InChIInChI=1S/C23H24N6/c1-23(2,3)29-22(25-26-27-29)21(28-14-12-16-7-4-5-9-20(16)28)18-10-11-19-17(15-18)8-6-13-24-19/h4-11,13,15,21H,12,14H2,1-3H3/t21-/m1/s1
InChIKeyQDGCBSHGCXKSCP-OAQYLSRUSA-N
MW384.49 g/mol
LogP4.13
Rot. Bonds3

About 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline

6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline (PubChem CID 1438518) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline
PubChem CID1438518
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline
SMILESCC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCc2ccccc21
InChIInChI=1S/C23H24N6/c1-23(2,3)29-22(25-26-27-29)21(28-14-12-16-7-4-5-9-20(16)28)18-10-11-19-17(15-18)8-6-13-24-19/h4-11,13,15,21H,12,14H2,1-3H3/t21-/m1/s1
InChIKeyQDGCBSHGCXKSCP-OAQYLSRUSA-N
XLogP4.13
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline?
The IUPAC name of 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline (CID 1438518) is 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline.
What is the SMILES notation for 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline?
The canonical SMILES for 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline is CC(C)(C)n1nnnc1[C@@H](c1ccc2ncccc2c1)N1CCc2ccccc21.
What is the InChIKey of 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline?
The InChIKey is QDGCBSHGCXKSCP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H24N6/c1-23(2,3)29-22(25-26-27-29)21(28-14-12-16-7-4-5-9-20(16)28)18-10-11-19-17(15-18)8-6-13-24-19/h4-11,13,15,21H,12,14H2,1-3H3/t21-/m1/s1.
What are the key properties of 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline?
6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline has a molecular weight of 384.49 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-(1-tert-butyltetrazol-5-yl)-(2,3-dihydroindol-1-yl)methyl]quinoline is sourced from PubChem (CID 1438518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).