2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one

C19H21N5O3 — CID 71001861

IUPAC2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21
InChIInChI=1S/C19H21N5O3/c1-4-24-16(20)14(17-21-9-10-22-17)15(25)13-6-5-12(23-18(13)24)7-8-19(2,26)11-27-3/h5-6,9-10,26H,4,11,20H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyFQPLKTQWEHDNAB-LJQANCHMSA-N
MW367.41 g/mol
LogP1.14
Rot. Bonds4

About 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one

2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one (PubChem CID 71001861) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one
PubChem CID71001861
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one
SMILESCCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21
InChIInChI=1S/C19H21N5O3/c1-4-24-16(20)14(17-21-9-10-22-17)15(25)13-6-5-12(23-18(13)24)7-8-19(2,26)11-27-3/h5-6,9-10,26H,4,11,20H2,1-3H3,(H,21,22)/t19-/m1/s1
InChIKeyFQPLKTQWEHDNAB-LJQANCHMSA-N
XLogP1.14
TPSA119.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one (CID 71001861) is 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one is CCn1c(N)c(-c2ncc[nH]2)c(=O)c2ccc(C#C[C@@](C)(O)COC)nc21.
What is the InChIKey of 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one?
The InChIKey is FQPLKTQWEHDNAB-LJQANCHMSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-4-24-16(20)14(17-21-9-10-22-17)15(25)13-6-5-12(23-18(13)24)7-8-19(2,26)11-27-3/h5-6,9-10,26H,4,11,20H2,1-3H3,(H,21,22)/t19-/m1/s1.
What are the key properties of 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one?
2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one has a molecular weight of 367.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-ethyl-7-[(3R)-3-hydroxy-4-methoxy-3-methylbut-1-ynyl]-3-(1H-imidazol-2-yl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 71001861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).