1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

C20H26N4O — CID 70887092

IUPAC1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C20H26N4O/c1-14(2)17-7-3-4-8-18(17)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25)
InChIKeyMWRKNZBEMQTWLS-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.93
Rot. Bonds5

About 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea

1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (PubChem CID 70887092) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
PubChem CID70887092
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea
SMILESCC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2
InChIInChI=1S/C20H26N4O/c1-14(2)17-7-3-4-8-18(17)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25)
InChIKeyMWRKNZBEMQTWLS-UHFFFAOYSA-N
XLogP3.93
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea with MolForge

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Related Compounds

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L-375378
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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The IUPAC name of 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea (CID 70887092) is 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The canonical SMILES for 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is CC(C)c1ccccc1NC(=O)NCCc1ccc2c(n1)NCCC2.
What is the InChIKey of 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
The InChIKey is MWRKNZBEMQTWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14(2)17-7-3-4-8-18(17)24-20(25)22-13-11-16-10-9-15-6-5-12-21-19(15)23-16/h3-4,7-10,14H,5-6,11-13H2,1-2H3,(H,21,23)(H2,22,24,25).
What are the key properties of 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea?
1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea has a molecular weight of 338.46 g/mol, XLogP of 3.93, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)-3-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]urea is sourced from PubChem (CID 70887092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).