methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C24H28N4O4 — CID 138479673

IUPACmethyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(Cn4ccccc4=O)n3C3CCOCC3)c2CC[C@@H]1C
InChIInChI=1S/C24H28N4O4/c1-16-6-7-18-19(27(16)24(30)31-2)8-9-20-23(18)25-21(15-26-12-4-3-5-22(26)29)28(20)17-10-13-32-14-11-17/h3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3/t16-/m0/s1
InChIKeyCWGRQUCHLXLJMI-INIZCTEOSA-N
MW436.51 g/mol
LogP3.51
Rot. Bonds3

About methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479673) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
PubChem CID138479673
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Namemethyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(Cn4ccccc4=O)n3C3CCOCC3)c2CC[C@@H]1C
InChIInChI=1S/C24H28N4O4/c1-16-6-7-18-19(27(16)24(30)31-2)8-9-20-23(18)25-21(15-26-12-4-3-5-22(26)29)28(20)17-10-13-32-14-11-17/h3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3/t16-/m0/s1
InChIKeyCWGRQUCHLXLJMI-INIZCTEOSA-N
XLogP3.51
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

methyl (7S)-3-cyclohexyl-7-methyl-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 174213434
2-[[6-methoxycarbonyl-7-methyl-3-(oxan-4-yl)-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]methyl]benzoic acid
CID 174211132
methyl (7S)-7-methyl-3-[2-[methyl(oxan-4-yl)amino]ethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479181
trans-(1R,3R)-3-[(7S)-6-methoxycarbonyl-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 154593782
methyl (7S)-3-(4-acetylcyclohexyl)-7-methyl-2-[2-(oxan-4-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 165110223
methyl (7S)-3-(azetidin-3-yl)-2-benzyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479153
methyl (7S)-7-methyl-3-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 153256651
methyl (7S)-3-[2-[(3S)-3-carbamoylpyrrolidin-1-yl]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479179
methyl (7S)-3-[2-[[(2R)-butan-2-yl]amino]ethyl]-7-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 165019836
2-[[(7S)-3-cyclohexyl-6-methoxycarbonyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]methyl]benzoic acid
CID 138479446
methyl (7S)-2-benzyl-7-methyl-3-[(2R)-2-methylpiperidin-4-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 164514079
methyl (7S)-2-benzyl-7-methyl-3-(2-methyl-2-azaspiro[3.5]nonan-7-yl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142546276

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479673) is methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(Cn4ccccc4=O)n3C3CCOCC3)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is CWGRQUCHLXLJMI-INIZCTEOSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-6-7-18-19(27(16)24(30)31-2)8-9-20-23(18)25-21(15-26-12-4-3-5-22(26)29)28(20)17-10-13-32-14-11-17/h3-5,8-9,12,16-17H,6-7,10-11,13-15H2,1-2H3/t16-/m0/s1.
What are the key properties of methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 436.51 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-7-methyl-3-(oxan-4-yl)-2-[(2-oxo-1-pyridinyl)methyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).