N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

C22H29N3O2 — CID 53114184

IUPACN-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)NC1CCCCC1)CC3
InChIInChI=1S/C22H29N3O2/c1-2-15-8-9-19-17(12-15)22(27)18-13-25(11-10-20(18)24-19)14-21(26)23-16-6-4-3-5-7-16/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNIZAFEXFRVQROF-UHFFFAOYSA-N
MW367.49 g/mol
LogP2.90
Rot. Bonds4

About N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide

N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (PubChem CID 53114184) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
PubChem CID53114184
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
SMILESCCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)NC1CCCCC1)CC3
InChIInChI=1S/C22H29N3O2/c1-2-15-8-9-19-17(12-15)22(27)18-13-25(11-10-20(18)24-19)14-21(26)23-16-6-4-3-5-7-16/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H,23,26)(H,24,27)
InChIKeyNIZAFEXFRVQROF-UHFFFAOYSA-N
XLogP2.90
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide (CID 53114184) is N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is CCc1ccc2[nH]c3c(c(=O)c2c1)CN(CC(=O)NC1CCCCC1)CC3.
What is the InChIKey of N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
The InChIKey is NIZAFEXFRVQROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-2-15-8-9-19-17(12-15)22(27)18-13-25(11-10-20(18)24-19)14-21(26)23-16-6-4-3-5-7-16/h8-9,12,16H,2-7,10-11,13-14H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide?
N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide has a molecular weight of 367.49 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide is sourced from PubChem (CID 53114184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).