2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole

C20H18N2O2 — CID 169050010

IUPAC2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
SMILESCOc1ccc2c(-c3ccc[nH]3)c(OC)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C20H18N2O2/c1-23-17-9-7-14-13(19(17)15-5-3-11-21-15)8-10-18(24-2)20(14)16-6-4-12-22-16/h3-12,21-22H,1-2H3
InChIKeyJZQOEYJLBQUTGH-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.85
Rot. Bonds4

About 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole

2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole (PubChem CID 169050010) has the molecular formula C20H18N2O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
PubChem CID169050010
Molecular FormulaC20H18N2O2
Molecular Weight318.38 g/mol
Exact Mass318.14
IUPAC Name2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
SMILESCOc1ccc2c(-c3ccc[nH]3)c(OC)ccc2c1-c1ccc[nH]1
InChIInChI=1S/C20H18N2O2/c1-23-17-9-7-14-13(19(17)15-5-3-11-21-15)8-10-18(24-2)20(14)16-6-4-12-22-16/h3-12,21-22H,1-2H3
InChIKeyJZQOEYJLBQUTGH-UHFFFAOYSA-N
XLogP4.85
TPSA50.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4,6-trimethoxyphenyl)-1H-pyrrole
CID 135036019
2-[2,6-ditert-butyl-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole
CID 169050387
2-[5-(1H-imidazol-2-yl)-2,6-dimethoxynaphthalen-1-yl]-1H-imidazole
CID 169050106
2-(2-chloro-4,5-dimethoxyphenyl)-1H-pyrrole
CID 175418289
N-ethyl-4-methoxy-3-(1H-pyrrol-2-yl)aniline
CID 71046837
3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
2-[5-(benzenesulfonyl)-2-methoxyphenyl]-1H-pyrrole
CID 22403085
6-chloro-2-methoxy-9-(1H-pyrrol-2-yl)acridine
CID 162418858
(4aZ,8aZ,12aZ,16aZ)-1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 53328080
5-ethynyl-1-(5-ethynyl-2-methoxynaphthalen-1-yl)-2-methoxynaphthalene
CID 139963293
5-(2,6-dimethoxyphenyl)-1H-pyrrol-3-amine
CID 96610158
5-(2,6-dimethoxy-5-pyrimidin-5-ylnaphthalen-1-yl)pyrimidine
CID 169050262

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The IUPAC name of 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole (CID 169050010) is 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole.
What is the SMILES notation for 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The canonical SMILES for 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole is COc1ccc2c(-c3ccc[nH]3)c(OC)ccc2c1-c1ccc[nH]1.
What is the InChIKey of 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
The InChIKey is JZQOEYJLBQUTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2/c1-23-17-9-7-14-13(19(17)15-5-3-11-21-15)8-10-18(24-2)20(14)16-6-4-12-22-16/h3-12,21-22H,1-2H3.
What are the key properties of 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole?
2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole has a molecular weight of 318.38 g/mol, XLogP of 4.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethoxy-5-(1H-pyrrol-2-yl)naphthalen-1-yl]-1H-pyrrole is sourced from PubChem (CID 169050010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).