methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

C25H33N7O4 — CID 138479275

IUPACmethyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N(C)CC(=O)N(C)C)c2CC[C@@H]1C
InChIInChI=1S/C25H33N7O4/c1-17-7-8-18-19(32(17)25(35)36-5)9-10-20-24(18)27-21(11-14-30-13-6-12-26-30)31(20)16-23(34)29(4)15-22(33)28(2)3/h6,9-10,12-13,17H,7-8,11,14-16H2,1-5H3/t17-/m0/s1
InChIKeyDFCXXDQKEOPYHG-KRWDZBQOSA-N
MW495.58 g/mol
LogP1.93
Rot. Bonds7

About methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate

methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 138479275) has the molecular formula C25H33N7O4 and a molecular weight of 495.58 g/mol. Its IUPAC name is methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
PubChem CID138479275
Molecular FormulaC25H33N7O4
Molecular Weight495.58 g/mol
Exact Mass495.26
IUPAC Namemethyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N(C)CC(=O)N(C)C)c2CC[C@@H]1C
InChIInChI=1S/C25H33N7O4/c1-17-7-8-18-19(32(17)25(35)36-5)9-10-20-24(18)27-21(11-14-30-13-6-12-26-30)31(20)16-23(34)29(4)15-22(33)28(2)3/h6,9-10,12-13,17H,7-8,11,14-16H2,1-5H3/t17-/m0/s1
InChIKeyDFCXXDQKEOPYHG-KRWDZBQOSA-N
XLogP1.93
TPSA105.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 138479275) is methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4cccn4)n3CC(=O)N(C)CC(=O)N(C)C)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is DFCXXDQKEOPYHG-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H33N7O4/c1-17-7-8-18-19(32(17)25(35)36-5)9-10-20-24(18)27-21(11-14-30-13-6-12-26-30)31(20)16-23(34)29(4)15-22(33)28(2)3/h6,9-10,12-13,17H,7-8,11,14-16H2,1-5H3/t17-/m0/s1.
What are the key properties of methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-3-[2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]-7-methyl-2-(2-pyrazol-1-ylethyl)-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 138479275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).