1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea

C21H18ClN3O2 — CID 129151619

IUPAC1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18ClN3O2/c22-16-3-1-14(2-4-16)7-10-24-21(26)25-17-5-6-19-18-8-9-23-12-15(18)13-27-20(19)11-17/h1-6,8-9,11-12H,7,10,13H2,(H2,24,25,26)
InChIKeyOJODPUIXUYWIRR-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.66
Rot. Bonds4

About 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea

1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea (PubChem CID 129151619) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea
PubChem CID129151619
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea
SMILESO=C(NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCc1cnccc1-2
InChIInChI=1S/C21H18ClN3O2/c22-16-3-1-14(2-4-16)7-10-24-21(26)25-17-5-6-19-18-8-9-23-12-15(18)13-27-20(19)11-17/h1-6,8-9,11-12H,7,10,13H2,(H2,24,25,26)
InChIKeyOJODPUIXUYWIRR-UHFFFAOYSA-N
XLogP4.66
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea (CID 129151619) is 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea is O=C(NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)OCc1cnccc1-2.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea?
The InChIKey is OJODPUIXUYWIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c22-16-3-1-14(2-4-16)7-10-24-21(26)25-17-5-6-19-18-8-9-23-12-15(18)13-27-20(19)11-17/h1-6,8-9,11-12H,7,10,13H2,(H2,24,25,26).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea?
1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea has a molecular weight of 379.85 g/mol, XLogP of 4.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-3-(5H-chromeno[3,4-c]pyridin-8-yl)urea is sourced from PubChem (CID 129151619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).