2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol

C21H19ClN2O2 — CID 145161476

IUPAC2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol
SMILESC=C(CC)C(=C)c1nc(C)c2nc(Oc3cccc(Cl)c3)ccc2c1O
InChIInChI=1S/C21H19ClN2O2/c1-5-12(2)13(3)19-21(25)17-9-10-18(24-20(17)14(4)23-19)26-16-8-6-7-15(22)11-16/h6-11,25H,2-3,5H2,1,4H3
InChIKeySWQBOJCBUXPVIL-UHFFFAOYSA-N
MW366.85 g/mol
LogP6.07
Rot. Bonds5

About 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol

2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol (PubChem CID 145161476) has the molecular formula C21H19ClN2O2 and a molecular weight of 366.85 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol
PubChem CID145161476
Molecular FormulaC21H19ClN2O2
Molecular Weight366.85 g/mol
Exact Mass366.11
IUPAC Name2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol
SMILESC=C(CC)C(=C)c1nc(C)c2nc(Oc3cccc(Cl)c3)ccc2c1O
InChIInChI=1S/C21H19ClN2O2/c1-5-12(2)13(3)19-21(25)17-9-10-18(24-20(17)14(4)23-19)26-16-8-6-7-15(22)11-16/h6-11,25H,2-3,5H2,1,4H3
InChIKeySWQBOJCBUXPVIL-UHFFFAOYSA-N
XLogP6.07
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.85
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 62323929
2-(3-chlorophenoxy)-4,6-dimethylpyrimidine
CID 171984782
N-[[3-chloro-6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62323575
6-(3-chlorophenoxy)-4-N-propylpyrimidine-2,4-diamine
CID 80870090
5-hydroxy-3,8-dimethyl-2-phenoxy-1,7-naphthyridine-6-carboxylic acid
CID 137285330
N-[[6-(3-chlorophenoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62322346
4-(3-chlorophenoxy)-1,2-dimethylbenzene
CID 70594513
butyl 6-(3-chlorophenoxy)-1-cyclopropyl-4-hydroxyisoquinoline-3-carboxylate
CID 156786187
ethane;ethyl 4-hydroxy-1-methyl-7-phenoxyisoquinoline-3-carboxylate
CID 155782315
1-chloro-3-(3-methylphenoxy)benzene;ethane
CID 153343625
N-[[3-chloro-6-(3-methoxyphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62295705
1-[2-(3-chlorophenoxy)quinolin-4-yl]-N-methylmethanamine
CID 62323576

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol?
The IUPAC name of 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol (CID 145161476) is 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol.
What is the SMILES notation for 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol?
The canonical SMILES for 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol is C=C(CC)C(=C)c1nc(C)c2nc(Oc3cccc(Cl)c3)ccc2c1O.
What is the InChIKey of 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol?
The InChIKey is SWQBOJCBUXPVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O2/c1-5-12(2)13(3)19-21(25)17-9-10-18(24-20(17)14(4)23-19)26-16-8-6-7-15(22)11-16/h6-11,25H,2-3,5H2,1,4H3.
What are the key properties of 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol?
2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol has a molecular weight of 366.85 g/mol, XLogP of 6.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-8-methyl-6-(3-methylidenepent-1-en-2-yl)-1,7-naphthyridin-5-ol is sourced from PubChem (CID 145161476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).