1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea

C20H21N3O3 — CID 55695740

IUPAC1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
SMILESCOc1ccc(C(C)NC(=O)Nc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-13(16-10-9-15(25-2)12-18(16)26-3)22-20(24)23-17-8-4-6-14-7-5-11-21-19(14)17/h4-13H,1-3H3,(H2,22,23,24)
InChIKeyQGHLCFJNGCSZII-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.13
Rot. Bonds5

About 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea

1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea (PubChem CID 55695740) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea.

Molecular Properties

Compound Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
PubChem CID55695740
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea
SMILESCOc1ccc(C(C)NC(=O)Nc2cccc3cccnc23)c(OC)c1
InChIInChI=1S/C20H21N3O3/c1-13(16-10-9-15(25-2)12-18(16)26-3)22-20(24)23-17-8-4-6-14-7-5-11-21-19(14)17/h4-13H,1-3H3,(H2,22,23,24)
InChIKeyQGHLCFJNGCSZII-UHFFFAOYSA-N
XLogP4.13
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1R)-2-hydroxy-1-(4-methoxyphenyl)ethyl]-3-quinolin-8-ylurea
CID 95285871
3-methoxy-N-quinolin-8-ylnaphthalene-2-carboxamide
CID 952605
4-(2,4-dimethoxyphenyl)-N-quinolin-8-ylpiperazine-1-carboxamide
CID 113114017
N-[1-(2,4-dimethoxyphenyl)ethyl]isoquinoline-1-carboxamide
CID 51128012
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-ethoxypyridine-3-carboxamide
CID 134053639
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 51083709
1-butan-2-yl-3-[1-(2,4-dimethoxyphenyl)ethyl]urea
CID 47216355
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-(1-pyrimidin-2-ylpiperidin-4-yl)urea
CID 55746439
N-[1-(4-methoxyphenyl)ethyl]quinolin-8-amine
CID 43191660
2,6-bis(4-methoxyphenyl)-N-quinolin-8-ylbenzamide
CID 139200312
4-methoxy-N-(quinolin-8-ylcarbamothioyl)benzamide
CID 952487
3-ethoxy-4-methoxy-N-quinolin-8-ylbenzamide
CID 26123353

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The IUPAC name of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea (CID 55695740) is 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea.
What is the SMILES notation for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The canonical SMILES for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea is COc1ccc(C(C)NC(=O)Nc2cccc3cccnc23)c(OC)c1.
What is the InChIKey of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea?
The InChIKey is QGHLCFJNGCSZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13(16-10-9-15(25-2)12-18(16)26-3)22-20(24)23-17-8-4-6-14-7-5-11-21-19(14)17/h4-13H,1-3H3,(H2,22,23,24).
What are the key properties of 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea?
1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea has a molecular weight of 351.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethoxyphenyl)ethyl]-3-quinolin-8-ylurea is sourced from PubChem (CID 55695740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).