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

C27H37N3O2 — CID 164751588

IUPACtert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc2ccc(C3=CCC(C)CN3C(=O)OC(C)(C)C)cc2nc1C1CCN(C)CC1
InChIInChI=1S/C27H37N3O2/c1-18-7-10-24(30(17-18)26(31)32-27(3,4)5)22-9-8-21-15-19(2)25(28-23(21)16-22)20-11-13-29(6)14-12-20/h8-10,15-16,18,20H,7,11-14,17H2,1-6H3
InChIKeyWAQWWEJIUGSEDC-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.97
Rot. Bonds2

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

tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 164751588) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID164751588
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Nametert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCc1cc2ccc(C3=CCC(C)CN3C(=O)OC(C)(C)C)cc2nc1C1CCN(C)CC1
InChIInChI=1S/C27H37N3O2/c1-18-7-10-24(30(17-18)26(31)32-27(3,4)5)22-9-8-21-15-19(2)25(28-23(21)16-22)20-11-13-29(6)14-12-20/h8-10,15-16,18,20H,7,11-14,17H2,1-6H3
InChIKeyWAQWWEJIUGSEDC-UHFFFAOYSA-N
XLogP5.97
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

tert-butyl (3S)-3-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164750948
tert-butyl 3-methyl-6-(3-methylquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113872
tert-butyl (3S)-3-methyl-6-[2-(1-methylpyrrolidin-3-yl)indazol-6-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 170083473
tert-butyl (3S)-6-[2-[(3R,4R)-1,3-dimethylpiperidin-4-yl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 176754580
tert-butyl 6-[2-(1,3-dimethylpiperidin-4-yl)indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113679
tert-butyl (3S)-3-methyl-6-quinolin-7-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169114964
tert-butyl 3-methyl-6-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113338
tert-butyl 3-methyl-6-(4-methylphenyl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169113845
tert-butyl 3-methyl-6-(2-methylindazol-5-yl)-3,4-dihydro-2H-pyridine-1-carboxylate
CID 171618579
tert-butyl (3S)-3-methyl-6-[2-(4-methylmorpholin-2-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751879
tert-butyl 6-(1,3-benzothiazol-5-yl)-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164753620
tert-butyl (3S)-6-[2-[2-(dimethylamino)ethyl]indazol-6-yl]-3-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 169112628

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate (CID 164751588) is tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is Cc1cc2ccc(C3=CCC(C)CN3C(=O)OC(C)(C)C)cc2nc1C1CCN(C)CC1.
What is the InChIKey of tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WAQWWEJIUGSEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-18-7-10-24(30(17-18)26(31)32-27(3,4)5)22-9-8-21-15-19(2)25(28-23(21)16-22)20-11-13-29(6)14-12-20/h8-10,15-16,18,20H,7,11-14,17H2,1-6H3.
What are the key properties of tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 435.61 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 164751588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).