(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol

C21H18N2O2 — CID 145136250

IUPAC(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol
SMILESCOc1cc2c(-n3cccc3)ncc(-c3ccccc3)c2cc1CO
InChIInChI=1S/C21H18N2O2/c1-25-20-12-18-17(11-16(20)14-24)19(15-7-3-2-4-8-15)13-22-21(18)23-9-5-6-10-23/h2-13,24H,14H2,1H3
InChIKeyZSFDPTJGTZTDFA-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.19
Rot. Bonds4

About (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol

(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol (PubChem CID 145136250) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol.

Molecular Properties

Compound Name(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol
PubChem CID145136250
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol
SMILESCOc1cc2c(-n3cccc3)ncc(-c3ccccc3)c2cc1CO
InChIInChI=1S/C21H18N2O2/c1-25-20-12-18-17(11-16(20)14-24)19(15-7-3-2-4-8-15)13-22-21(18)23-9-5-6-10-23/h2-13,24H,14H2,1H3
InChIKeyZSFDPTJGTZTDFA-UHFFFAOYSA-N
XLogP4.19
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methoxy-4-phenyl-1-pyridin-1-ium-1-ylisoquinolin-6-yl)methanol
CID 122457742
6,7-dimethoxy-1-methyl-4-phenylisoquinoline;hydrochloride
CID 3029075
(5-methoxy-4-phenyl-2-pyridinyl)methanol
CID 131570308
6,7-dimethoxy-1,4-diphenylnaphthalene
CID 134090814
(5-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571502
(6-methoxy-4-phenyl-3-pyridinyl)methanol
CID 131571511
(4,5-dimethoxy-2-phenylmethoxyphenyl)methanol
CID 53441132
6,7-dimethoxy-3-phenylquinoline-4-carboxylic acid
CID 18788641
(2-methoxy-9H-carbazol-3-yl)methanol
CID 134816366
[2-amino-5-(2-methoxyphenyl)-3-pyridinyl]methanol
CID 115037715
2-(2,5-dimethoxy-4-phenylphenyl)acetic acid
CID 4270797
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229

Frequently Asked Questions

What is the IUPAC name of (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol?
The IUPAC name of (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol (CID 145136250) is (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol.
What is the SMILES notation for (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol?
The canonical SMILES for (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol is COc1cc2c(-n3cccc3)ncc(-c3ccccc3)c2cc1CO.
What is the InChIKey of (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol?
The InChIKey is ZSFDPTJGTZTDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-25-20-12-18-17(11-16(20)14-24)19(15-7-3-2-4-8-15)13-22-21(18)23-9-5-6-10-23/h2-13,24H,14H2,1H3.
What are the key properties of (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol?
(7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol has a molecular weight of 330.39 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxy-4-phenyl-1-pyrrol-1-ylisoquinolin-6-yl)methanol is sourced from PubChem (CID 145136250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).