[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol

C24H30N4O2 — CID 167089800

IUPAC[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol
SMILESCOC(O)N1c2ccc3c(nc(Cc4ccccc4)n3C3CCNC3)c2CC[C@@H]1C
InChIInChI=1S/C24H30N4O2/c1-16-8-9-19-20(27(16)24(29)30-2)10-11-21-23(19)26-22(14-17-6-4-3-5-7-17)28(21)18-12-13-25-15-18/h3-7,10-11,16,18,24-25,29H,8-9,12-15H2,1-2H3/t16-,18?,24?/m0/s1
InChIKeyPCRUHBFLWSCSQR-KXQSVIISSA-N
MW406.53 g/mol
LogP3.22
Rot. Bonds5

About [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol

[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol (PubChem CID 167089800) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol.

Molecular Properties

Compound Name[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol
PubChem CID167089800
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol
SMILESCOC(O)N1c2ccc3c(nc(Cc4ccccc4)n3C3CCNC3)c2CC[C@@H]1C
InChIInChI=1S/C24H30N4O2/c1-16-8-9-19-20(27(16)24(29)30-2)10-11-21-23(19)26-22(14-17-6-4-3-5-7-17)28(21)18-12-13-25-15-18/h3-7,10-11,16,18,24-25,29H,8-9,12-15H2,1-2H3/t16-,18?,24?/m0/s1
InChIKeyPCRUHBFLWSCSQR-KXQSVIISSA-N
XLogP3.22
TPSA62.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174211915
2-benzyl-7-methyl-3-piperidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174211213
methyl (7S)-3-(azetidin-3-yl)-2-benzyl-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 138479153
[(7S)-2-benzyl-3-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol
CID 138479693
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
(7S)-2-benzyl-7-methyl-3-[(2R,4R)-2-methylpiperidin-4-yl]-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylic acid
CID 174207737
methyl (7S)-2-benzyl-3-[(1R,3R)-3-ethylcyclohexyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 176983491
1-[2-[(7S)-6-[hydroxy(methoxy)methyl]-3,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-2-yl]ethyl]pyridin-2-one
CID 167089796
2-[(3-fluorophenyl)methyl]-6,7-dimethyl-3-piperidin-4-yl-8,9-dihydro-7H-imidazo[4,5-f]quinoline
CID 142546045
4-[(7S)-6-[hydroxy(methoxy)methyl]-7-methyl-2-[2-(1-methylpyrazol-3-yl)ethyl]-8,9-dihydro-7H-imidazo[4,5-f]quinolin-3-yl]cyclohexane-1-carboxylic acid
CID 167089884
3-(2-azaspiro[3.3]heptan-6-yl)-2-benzyl-6,7-dimethyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline;formic acid
CID 142546095
methyl (7S)-2-benzyl-3-[(1S,3S)-3-cyanocyclohexyl]-7-methyl-8,9-dihydro-7H-imidazo[4,5-f]quinoline-6-carboxylate
CID 142545880

Frequently Asked Questions

What is the IUPAC name of [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol?
The IUPAC name of [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol (CID 167089800) is [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol.
What is the SMILES notation for [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol?
The canonical SMILES for [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol is COC(O)N1c2ccc3c(nc(Cc4ccccc4)n3C3CCNC3)c2CC[C@@H]1C.
What is the InChIKey of [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol?
The InChIKey is PCRUHBFLWSCSQR-KXQSVIISSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-16-8-9-19-20(27(16)24(29)30-2)10-11-21-23(19)26-22(14-17-6-4-3-5-7-17)28(21)18-12-13-25-15-18/h3-7,10-11,16,18,24-25,29H,8-9,12-15H2,1-2H3/t16-,18?,24?/m0/s1.
What are the key properties of [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol?
[(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol has a molecular weight of 406.53 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(7S)-2-benzyl-7-methyl-3-pyrrolidin-3-yl-8,9-dihydro-7H-imidazo[4,5-f]quinolin-6-yl]-methoxymethanol is sourced from PubChem (CID 167089800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).