tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate

C23H29N3O3 — CID 123234978

IUPACtert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate
SMILESCc1cccc2c1-n1cnc(CC3CCCN(C(=O)OC(C)(C)C)C3=O)c1CC2
InChIInChI=1S/C23H29N3O3/c1-15-7-5-8-16-10-11-19-18(24-14-26(19)20(15)16)13-17-9-6-12-25(21(17)27)22(28)29-23(2,3)4/h5,7-8,14,17H,6,9-13H2,1-4H3
InChIKeyAECVKNLXJCVMRN-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.00
Rot. Bonds2

About tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate

tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate (PubChem CID 123234978) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate
PubChem CID123234978
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nametert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate
SMILESCc1cccc2c1-n1cnc(CC3CCCN(C(=O)OC(C)(C)C)C3=O)c1CC2
InChIInChI=1S/C23H29N3O3/c1-15-7-5-8-16-10-11-19-18(24-14-26(19)20(15)16)13-17-9-6-12-25(21(17)27)22(28)29-23(2,3)4/h5,7-8,14,17H,6,9-13H2,1-4H3
InChIKeyAECVKNLXJCVMRN-UHFFFAOYSA-N
XLogP4.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (3S)-3-[[1-(4-methylcyclohexyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
CID 71231553
tert-butyl 3-[[1-(3-methylbutyl)imidazol-4-yl]methyl]-2-oxopiperidine-1-carboxylate
CID 22319423
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl 3-(4-methylbenzoyl)-2-oxopiperidine-1-carboxylate
CID 145068213
tert-butyl 3-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxopiperidin-3-yl]methyl]-4,10-dihydroimidazo[1,5-a]quinoxalin-10-ium-5-carboxylate
CID 173063874
tert-butyl 8-acetyl-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83904337
tert-butyl 3-methyl-2-oxopiperidine-1-carboxylate
CID 10846260
tert-butyl (3E)-3-[(8-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methylidene]-2-oxopiperidine-1-carboxylate
CID 67329189
tert-butyl 3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate
CID 11831362
2-methoxy-1-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 60721467
tert-butyl 3-bromo-2-oxopiperidine-1-carboxylate
CID 86276594
tert-butyl 8-cyano-3,4-dihydro-2H-quinoline-1-carboxylate
CID 83445612

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate (CID 123234978) is tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate is Cc1cccc2c1-n1cnc(CC3CCCN(C(=O)OC(C)(C)C)C3=O)c1CC2.
What is the InChIKey of tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate?
The InChIKey is AECVKNLXJCVMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-15-7-5-8-16-10-11-19-18(24-14-26(19)20(15)16)13-17-9-6-12-25(21(17)27)22(28)29-23(2,3)4/h5,7-8,14,17H,6,9-13H2,1-4H3.
What are the key properties of tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate?
tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate has a molecular weight of 395.50 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(9-methyl-4,5-dihydroimidazo[1,5-a]quinolin-3-yl)methyl]-2-oxopiperidine-1-carboxylate is sourced from PubChem (CID 123234978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).