8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

C20H24N2O4 — CID 118278267

IUPAC8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(O)COC(C)C)ccc21
InChIInChI=1S/C20H24N2O4/c1-12(2)25-10-14(23)11-26-15-5-6-16-17-7-8-21-13(3)19(17)20(24)22(4)18(16)9-15/h5-9,12,14,23H,10-11H2,1-4H3
InChIKeyQRULZGYESVNRLB-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.56
Rot. Bonds6

About 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one

8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (PubChem CID 118278267) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.

Molecular Properties

Compound Name8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
PubChem CID118278267
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
SMILESCc1nccc2c1c(=O)n(C)c1cc(OCC(O)COC(C)C)ccc21
InChIInChI=1S/C20H24N2O4/c1-12(2)25-10-14(23)11-26-15-5-6-16-17-7-8-21-13(3)19(17)20(24)22(4)18(16)9-15/h5-9,12,14,23H,10-11H2,1-4H3
InChIKeyQRULZGYESVNRLB-UHFFFAOYSA-N
XLogP2.56
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

8-[(2S)-2-amino-4-methylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213798
8-[(2S)-2-amino-3-cyclopropylpropoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213873
[5-(4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxy-4-methylpentan-2-yl]carbamic acid
CID 90034971
8-[(2S)-2-amino-2,4-dimethylpentoxy]-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213955
tert-butyl-[1-cyclopropyl-3-(4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl)oxypropan-2-yl]carbamic acid
CID 122583290
6-(2-hydroxy-3-propan-2-yloxypropoxy)-1-benzofuran-3-one
CID 63989056
2-[(2S)-1-[9-(1-ethoxyethenyl)-4,6-dimethyl-5-oxobenzo[c][2,7]naphthyridin-8-yl]oxy-4-methylpentan-2-yl]isoindole-1,3-dione
CID 86710376
8-[(2S)-2-amino-4-methylpentoxy]-9-(difluoromethyl)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one
CID 73213949
8-(2-amino-4-methylpentoxy)-4,6-dimethyl-9-pyrazol-1-ylbenzo[c][2,7]naphthyridin-5-one
CID 123759933
4,6-dimethyl-8-(4-methylpentoxy)-9-(1,3-thiazol-5-yl)benzo[c][2,7]naphthyridin-5-one
CID 144565556
4,6-dimethyl-8-(4-methylpentoxy)-9-methylsulfinylbenzo[c][2,7]naphthyridin-5-one;ethane
CID 144565646
8-(3-methoxypropoxy)-6-methylbenzo[c][2,7]naphthyridin-5-one
CID 144565582

Frequently Asked Questions

What is the IUPAC name of 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The IUPAC name of 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one (CID 118278267) is 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one.
What is the SMILES notation for 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The canonical SMILES for 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is Cc1nccc2c1c(=O)n(C)c1cc(OCC(O)COC(C)C)ccc21.
What is the InChIKey of 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
The InChIKey is QRULZGYESVNRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-12(2)25-10-14(23)11-26-15-5-6-16-17-7-8-21-13(3)19(17)20(24)22(4)18(16)9-15/h5-9,12,14,23H,10-11H2,1-4H3.
What are the key properties of 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one?
8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one has a molecular weight of 356.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-hydroxy-3-propan-2-yloxypropoxy)-4,6-dimethylbenzo[c][2,7]naphthyridin-5-one is sourced from PubChem (CID 118278267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).