5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one

C17H20N4O2 — CID 22170137

IUPAC5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
SMILESCc1onc2c1c(=O)n(C1CCCC(CN)C1)c1ccncc21
InChIInChI=1S/C17H20N4O2/c1-10-15-16(20-23-10)13-9-19-6-5-14(13)21(17(15)22)12-4-2-3-11(7-12)8-18/h5-6,9,11-12H,2-4,7-8,18H2,1H3
InChIKeyVJRRKRPRQHMWMS-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.54
Rot. Bonds2

About 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one

5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one (PubChem CID 22170137) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one.

Molecular Properties

Compound Name5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
PubChem CID22170137
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one
SMILESCc1onc2c1c(=O)n(C1CCCC(CN)C1)c1ccncc21
InChIInChI=1S/C17H20N4O2/c1-10-15-16(20-23-10)13-9-19-6-5-14(13)21(17(15)22)12-4-2-3-11(7-12)8-18/h5-6,9,11-12H,2-4,7-8,18H2,1H3
InChIKeyVJRRKRPRQHMWMS-UHFFFAOYSA-N
XLogP2.54
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one?
The IUPAC name of 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one (CID 22170137) is 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one.
What is the SMILES notation for 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one?
The canonical SMILES for 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one is Cc1onc2c1c(=O)n(C1CCCC(CN)C1)c1ccncc21.
What is the InChIKey of 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one?
The InChIKey is VJRRKRPRQHMWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-15-16(20-23-10)13-9-19-6-5-14(13)21(17(15)22)12-4-2-3-11(7-12)8-18/h5-6,9,11-12H,2-4,7-8,18H2,1H3.
What are the key properties of 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one?
5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one has a molecular weight of 312.37 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)cyclohexyl]-3-methyl-[1,2]oxazolo[4,3-c][1,6]naphthyridin-4-one is sourced from PubChem (CID 22170137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).