1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one

C17H23N3O3 — CID 66734268

IUPAC1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](O)C3CCC(N)CC3)c2n1
InChIInChI=1S/C17H23N3O3/c1-23-15-8-4-12-5-9-16(22)20(17(12)19-15)10-14(21)11-2-6-13(18)7-3-11/h4-5,8-9,11,13-14,21H,2-3,6-7,10,18H2,1H3/t11?,13?,14-/m0/s1
InChIKeyUHFSRMOOGQXYFX-UBHUBRDASA-N
MW317.39 g/mol
LogP1.28
Rot. Bonds4

About 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one

1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one (PubChem CID 66734268) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
PubChem CID66734268
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one
SMILESCOc1ccc2ccc(=O)n(C[C@H](O)C3CCC(N)CC3)c2n1
InChIInChI=1S/C17H23N3O3/c1-23-15-8-4-12-5-9-16(22)20(17(12)19-15)10-14(21)11-2-6-13(18)7-3-11/h4-5,8-9,11,13-14,21H,2-3,6-7,10,18H2,1H3/t11?,13?,14-/m0/s1
InChIKeyUHFSRMOOGQXYFX-UBHUBRDASA-N
XLogP1.28
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The IUPAC name of 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one (CID 66734268) is 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one.
What is the SMILES notation for 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The canonical SMILES for 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one is COc1ccc2ccc(=O)n(C[C@H](O)C3CCC(N)CC3)c2n1.
What is the InChIKey of 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
The InChIKey is UHFSRMOOGQXYFX-UBHUBRDASA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-8-4-12-5-9-16(22)20(17(12)19-15)10-14(21)11-2-6-13(18)7-3-11/h4-5,8-9,11,13-14,21H,2-3,6-7,10,18H2,1H3/t11?,13?,14-/m0/s1.
What are the key properties of 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one?
1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one has a molecular weight of 317.39 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-aminocyclohexyl)-2-hydroxyethyl]-7-methoxy-1,8-naphthyridin-2-one is sourced from PubChem (CID 66734268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).