tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

C28H30N4O2 — CID 137357476

IUPACtert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(-c2ccc3nc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3c2)cc2cn(C)nc12
InChIInChI=1S/C28H30N4O2/c1-18-14-22(16-23-17-31(5)30-26(18)23)20-6-8-25-21(15-20)7-9-24(29-25)19-10-12-32(13-11-19)27(33)34-28(2,3)4/h6-10,14-17H,11-13H2,1-5H3
InChIKeyHOGUFGUNORNTEE-UHFFFAOYSA-N
MW454.57 g/mol
LogP6.12
Rot. Bonds2

About tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 137357476) has the molecular formula C28H30N4O2 and a molecular weight of 454.57 g/mol. Its IUPAC name is tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID137357476
Molecular FormulaC28H30N4O2
Molecular Weight454.57 g/mol
Exact Mass454.24
IUPAC Nametert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc(-c2ccc3nc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3c2)cc2cn(C)nc12
InChIInChI=1S/C28H30N4O2/c1-18-14-22(16-23-17-31(5)30-26(18)23)20-6-8-25-21(15-20)7-9-24(29-25)19-10-12-32(13-11-19)27(33)34-28(2,3)4/h6-10,14-17H,11-13H2,1-5H3
InChIKeyHOGUFGUNORNTEE-UHFFFAOYSA-N
XLogP6.12
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.57
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)-4-methoxy-1,3-benzothiazol-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 153383108
tert-butyl 4-[2-(6-methoxy-2-methyl-1H-indol-5-yl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175486556
tert-butyl 4-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 121409563
tert-butyl 4-[3-amino-4-[(Z)-2-amino-2-(2-methylindazol-5-yl)ethenyl]phenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 142492313
tert-butyl 5-[2-(2,7-dimethylindazol-5-yl)imidazo[2,1-b][1,3,4]thiadiazol-6-yl]azocane-1-carboxylate
CID 178051128
4-[3-(2,7-dimethylindazol-5-yl)-1-oxido-1,2,4-benzotriazin-1-ium-7-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 146585545
tert-butyl 4-(4-methyl-1,3-benzothiazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 139916466
tert-butyl 4-pyridin-4-yl-3,6-dihydro-2H-pyridine-1-carboxylate;ethane
CID 144594549
tert-butyl 4-(4-aminophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 53415310
tert-butyl 4-[8-methyl-2-(4-methylsulfinylphenyl)imidazo[1,2-a]pyridin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 162735609
tert-butyl 4-(4-ethoxycarbonyl-3-methylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 170727423
tert-butyl 4-(1,5-diphenyl-1,2,4-triazol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 177339572

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate (CID 137357476) is tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is Cc1cc(-c2ccc3nc(C4=CCN(C(=O)OC(C)(C)C)CC4)ccc3c2)cc2cn(C)nc12.
What is the InChIKey of tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is HOGUFGUNORNTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O2/c1-18-14-22(16-23-17-31(5)30-26(18)23)20-6-8-25-21(15-20)7-9-24(29-25)19-10-12-32(13-11-19)27(33)34-28(2,3)4/h6-10,14-17H,11-13H2,1-5H3.
What are the key properties of tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 454.57 g/mol, XLogP of 6.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-(2,7-dimethylindazol-5-yl)quinolin-2-yl]-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 137357476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).