tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate

C36H37N7O3 — CID 90182409

IUPACtert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C36H37N7O3/c1-36(2,3)46-35(45)42-16-6-7-26(22-42)23-8-12-28(13-9-23)43-33-29-17-24(10-15-31(29)38-20-32(33)41(5)34(43)44)25-11-14-30(37-18-25)27-19-39-40(4)21-27/h8-15,17-21,26H,6-7,16,22H2,1-5H3
InChIKeyHLIRRAGXOUSIKA-UHFFFAOYSA-N
MW615.74 g/mol
LogP6.45
Rot. Bonds4

About tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate

tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate (PubChem CID 90182409) has the molecular formula C36H37N7O3 and a molecular weight of 615.74 g/mol. Its IUPAC name is tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
PubChem CID90182409
Molecular FormulaC36H37N7O3
Molecular Weight615.74 g/mol
Exact Mass615.30
IUPAC Nametert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(=O)n5C)cn2)cn1
InChIInChI=1S/C36H37N7O3/c1-36(2,3)46-35(45)42-16-6-7-26(22-42)23-8-12-28(13-9-23)43-33-29-17-24(10-15-31(29)38-20-32(33)41(5)34(43)44)25-11-14-30(37-18-25)27-19-39-40(4)21-27/h8-15,17-21,26H,6-7,16,22H2,1-5H3
InChIKeyHLIRRAGXOUSIKA-UHFFFAOYSA-N
XLogP6.45
TPSA100.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500615.74
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[1-isoquinolin-3-yl-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11467108
1-(1-acetylpiperidin-4-yl)-8-(1H-indazol-4-yl)-3-methylimidazo[4,5-c][1,5]naphthyridin-2-one
CID 58379595
Tert-butyl 4-[[4-[1-(2-methoxyethyl)-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]phenyl]carbamoylamino]piperidine-1-carboxylate
CID 163289553
N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-phenyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11215412
N-[2-(7-methyl-1H-indazol-5-yl)-1-quinolin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11226747
N-[2-(7-methyl-1H-indazol-5-yl)-1-pyridin-2-ylethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11295168
N-[2-(7-methyl-1H-indazol-5-yl)-1-(6-methyl-2-pyridinyl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11341430
Tert-butyl 4-[4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-6-yl]pyrazol-1-yl]piperidine-1-carboxylate
CID 57406219
3-Methyl-1-phenyl-8-quinolin-3-ylimidazo[4,5-c]quinolin-2-one
CID 73977447
Methyl 4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c][1,5]naphthyridin-1-yl)piperidine-1-carboxylate
CID 45255193
3-Methyl-8-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]quinolin-2-one
CID 73977445
3-Methyl-1-(4-methylphenyl)-8-pyridin-4-ylimidazo[4,5-c]quinolin-2-one
CID 73977449

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate (CID 90182409) is tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate is Cn1cc(-c2ccc(-c3ccc4ncc5c(c4c3)n(-c3ccc(C4CCCN(C(=O)OC(C)(C)C)C4)cc3)c(=O)n5C)cn2)cn1.
What is the InChIKey of tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate?
The InChIKey is HLIRRAGXOUSIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N7O3/c1-36(2,3)46-35(45)42-16-6-7-26(22-42)23-8-12-28(13-9-23)43-33-29-17-24(10-15-31(29)38-20-32(33)41(5)34(43)44)25-11-14-30(37-18-25)27-19-39-40(4)21-27/h8-15,17-21,26H,6-7,16,22H2,1-5H3.
What are the key properties of tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate?
tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate has a molecular weight of 615.74 g/mol, XLogP of 6.45, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-[3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]piperidine-1-carboxylate is sourced from PubChem (CID 90182409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).