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

C22H21N3O3 — CID 121363977

IUPAC1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C22H21N3O3/c1-27-18-5-2-15(3-6-18)8-11-24-22(26)25-17-4-7-20-19-9-10-23-13-16(19)14-28-21(20)12-17/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,24,25,26)
InChIKeyWNMJUYWTRVMPEQ-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.01
Rot. Bonds5

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

1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (PubChem CID 121363977) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
PubChem CID121363977
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
SMILESCOc1ccc(CCNC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1
InChIInChI=1S/C22H21N3O3/c1-27-18-5-2-15(3-6-18)8-11-24-22(26)25-17-4-7-20-19-9-10-23-13-16(19)14-28-21(20)12-17/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,24,25,26)
InChIKeyWNMJUYWTRVMPEQ-UHFFFAOYSA-N
XLogP4.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea (CID 121363977) is 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is COc1ccc(CCNC(=O)Nc2ccc3c(c2)OCc2cnccc2-3)cc1.
What is the InChIKey of 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
The InChIKey is WNMJUYWTRVMPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-18-5-2-15(3-6-18)8-11-24-22(26)25-17-4-7-20-19-9-10-23-13-16(19)14-28-21(20)12-17/h2-7,9-10,12-13H,8,11,14H2,1H3,(H2,24,25,26).
What are the key properties of 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea?
1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea has a molecular weight of 375.43 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5H-chromeno[3,4-c]pyridin-8-yl)-3-[2-(4-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 121363977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).