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

C26H30N8O4 — CID 154593788

IUPACmethyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4ccccc4=O)n3CC(=O)NCc3ncnn3C)c2CC[C@@H]1C
InChIInChI=1S/C26H30N8O4/c1-17-7-8-18-19(34(17)26(37)38-3)9-10-20-25(18)30-21(11-13-32-12-5-4-6-24(32)36)33(20)15-23(35)27-14-22-28-16-29-31(22)2/h4-6,9-10,12,16-17H,7-8,11,13-15H2,1-3H3,(H,27,35)/t17-/m0/s1
InChIKeyCNIFYIMQEXWREH-KRWDZBQOSA-N
MW518.58 g/mol
LogP1.79
Rot. Bonds7

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

methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (PubChem CID 154593788) has the molecular formula C26H30N8O4 and a molecular weight of 518.58 g/mol. Its IUPAC name is methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.

Molecular Properties

Compound Namemethyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
PubChem CID154593788
Molecular FormulaC26H30N8O4
Molecular Weight518.58 g/mol
Exact Mass518.24
IUPAC Namemethyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
SMILESCOC(=O)N1c2ccc3c(nc(CCn4ccccc4=O)n3CC(=O)NCc3ncnn3C)c2CC[C@@H]1C
InChIInChI=1S/C26H30N8O4/c1-17-7-8-18-19(34(17)26(37)38-3)9-10-20-25(18)30-21(11-13-32-12-5-4-6-24(32)36)33(20)15-23(35)27-14-22-28-16-29-31(22)2/h4-6,9-10,12,16-17H,7-8,11,13-15H2,1-3H3,(H,27,35)/t17-/m0/s1
InChIKeyCNIFYIMQEXWREH-KRWDZBQOSA-N
XLogP1.79
TPSA129.17 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.58
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The IUPAC name of methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate (CID 154593788) is methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate.
What is the SMILES notation for methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The canonical SMILES for methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is COC(=O)N1c2ccc3c(nc(CCn4ccccc4=O)n3CC(=O)NCc3ncnn3C)c2CC[C@@H]1C.
What is the InChIKey of methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
The InChIKey is CNIFYIMQEXWREH-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H30N8O4/c1-17-7-8-18-19(34(17)26(37)38-3)9-10-20-25(18)30-21(11-13-32-12-5-4-6-24(32)36)33(20)15-23(35)27-14-22-28-16-29-31(22)2/h4-6,9-10,12,16-17H,7-8,11,13-15H2,1-3H3,(H,27,35)/t17-/m0/s1.
What are the key properties of methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate?
methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate has a molecular weight of 518.58 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (7S)-7-methyl-3-[2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]-2-oxoethyl]-2-[2-(2-oxo-1-pyridinyl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate is sourced from PubChem (CID 154593788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).