methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol

C14H13NO3 — CID 143258697

IUPACmethoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol
SMILESCOC(O)(O)c1ccc2ccc3ccccc3n12
InChIInChI=1S/C14H13NO3/c1-18-14(16,17)13-9-8-11-7-6-10-4-2-3-5-12(10)15(11)13/h2-9,16-17H,1H3
InChIKeyCCCQDBQMXAJKDF-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.83
Rot. Bonds2

About methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol

methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol (PubChem CID 143258697) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol.

Molecular Properties

Compound Namemethoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol
PubChem CID143258697
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Namemethoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol
SMILESCOC(O)(O)c1ccc2ccc3ccccc3n12
InChIInChI=1S/C14H13NO3/c1-18-14(16,17)13-9-8-11-7-6-10-4-2-3-5-12(10)15(11)13/h2-9,16-17H,1H3
InChIKeyCCCQDBQMXAJKDF-UHFFFAOYSA-N
XLogP1.83
TPSA54.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethylpyrrolo[1,2-a]quinoline
CID 58672852
methyl 3-formylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 880885
1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline
CID 11658742
dimethyl 1-benzoylpyrrolo[1,2-a]quinoline-2,3-dicarboxylate
CID 44612996
methyl 3-benzoyl-1-(trifluoromethyl)pyrrolo[1,2-a]quinoline-2-carboxylate
CID 132539065
imidazo[1,5-a]quinolin-1-ylmethanol
CID 71535462
methyl pyrrolo[1,2-a]quinoline-2-carboxylate
CID 122223914
methyl 2-methylimidazo[1,2-a]quinoline-1-carboxylate
CID 102431480
2H-imidazo[1,5-a]quinolin-1-one
CID 12536652
aluminum;methoxy(phenyl)methanediol;trichloride
CID 173442251
1-pent-4-enylpyrrolo[1,2-a]quinoline
CID 11368341
methyl 1-acetylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 821571

Frequently Asked Questions

What is the IUPAC name of methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol?
The IUPAC name of methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol (CID 143258697) is methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol.
What is the SMILES notation for methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol?
The canonical SMILES for methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol is COC(O)(O)c1ccc2ccc3ccccc3n12.
What is the InChIKey of methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol?
The InChIKey is CCCQDBQMXAJKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-18-14(16,17)13-9-8-11-7-6-10-4-2-3-5-12(10)15(11)13/h2-9,16-17H,1H3.
What are the key properties of methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol?
methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol has a molecular weight of 243.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy(pyrrolo[1,2-a]quinolin-1-yl)methanediol is sourced from PubChem (CID 143258697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).