tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate

C20H24N2O2 — CID 169114964

IUPACtert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1CC=C(c2ccc3cccnc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H24N2O2/c1-14-7-10-18(22(13-14)19(23)24-20(2,3)4)16-9-8-15-6-5-11-21-17(15)12-16/h5-6,8-12,14H,7,13H2,1-4H3/t14-/m0/s1
InChIKeyKUUDGDXZCZUWEL-AWEZNQCLSA-N
MW324.42 g/mol
LogP4.85
Rot. Bonds1

About tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate

tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 169114964) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID169114964
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Nametert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESC[C@H]1CC=C(c2ccc3cccnc3c2)N(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C20H24N2O2/c1-14-7-10-18(22(13-14)19(23)24-20(2,3)4)16-9-8-15-6-5-11-21-17(15)12-16/h5-6,8-12,14H,7,13H2,1-4H3/t14-/m0/s1
InChIKeyKUUDGDXZCZUWEL-AWEZNQCLSA-N
XLogP4.85
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate (CID 169114964) is tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate is C[C@H]1CC=C(c2ccc3cccnc3c2)N(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is KUUDGDXZCZUWEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-14-7-10-18(22(13-14)19(23)24-20(2,3)4)16-9-8-15-6-5-11-21-17(15)12-16/h5-6,8-12,14H,7,13H2,1-4H3/t14-/m0/s1.
What are the key properties of tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 324.42 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 169114964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).