ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate

C20H34N4O4 — CID 142807716

IUPACethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCC.COC.COC(=O)c1nc(N(C)CCCN(C)C)c2cccnc2c1O
InChIInChI=1S/C16H22N4O3.C2H6O.C2H6/c1-19(2)9-6-10-20(3)15-11-7-5-8-17-12(11)14(21)13(18-15)16(22)23-4;1-3-2;1-2/h5,7-8,21H,6,9-10H2,1-4H3;1-2H3;1-2H3
InChIKeyPOBOIUHEVQAZBF-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.80
Rot. Bonds6

About ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate

ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate (PubChem CID 142807716) has the molecular formula C20H34N4O4 and a molecular weight of 394.52 g/mol. Its IUPAC name is ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate.

Molecular Properties

Compound Nameethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
PubChem CID142807716
Molecular FormulaC20H34N4O4
Molecular Weight394.52 g/mol
Exact Mass394.26
IUPAC Nameethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate
SMILESCC.COC.COC(=O)c1nc(N(C)CCCN(C)C)c2cccnc2c1O
InChIInChI=1S/C16H22N4O3.C2H6O.C2H6/c1-19(2)9-6-10-20(3)15-11-7-5-8-17-12(11)14(21)13(18-15)16(22)23-4;1-3-2;1-2/h5,7-8,21H,6,9-10H2,1-4H3;1-2H3;1-2H3
InChIKeyPOBOIUHEVQAZBF-UHFFFAOYSA-N
XLogP2.80
TPSA88.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 8-hydroxy-5-[methyl(methylsulfonyl)amino]-1,6-naphthyridine-7-carboxylate
CID 59645218
ethane;8-hydroxy-7-methoxycarbonyl-1,6-naphthyridine-5-carboxylic acid
CID 142808011
methyl 7-[(4-fluorophenyl)methylcarbamoyl]-8-hydroxy-1,6-naphthyridine-5-carboxylate
CID 141443978
methyl 5-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamoyl]-8-hydroxy-1,6-naphthyridine-7-carboxylate
CID 86280626
methyl 8-hydroxy-5-sulfanylidene-6H-1,6-naphthyridine-7-carboxylate
CID 142807728
1-[3-(dimethylamino)propyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975958
N-[3-(dimethylamino)propyl]-3-hydroxy-N-methylpyridine-2-carboxamide
CID 55228119
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
[1-[3-(dimethylamino)propyl-methylamino]isoquinolin-3-yl]methanol
CID 63699924
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
N-[(3,5-dichlorophenyl)methyl]-8-hydroxy-5-[methyl-[(5-oxopyrrolidin-2-yl)methyl]amino]-1,6-naphthyridine-7-carboxamide
CID 20816877
1-[2-(dimethylamino)ethyl]-3-(2-quinolin-8-yloxyethyl)urea
CID 112975956

Frequently Asked Questions

What is the IUPAC name of ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The IUPAC name of ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate (CID 142807716) is ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate.
What is the SMILES notation for ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The canonical SMILES for ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate is CC.COC.COC(=O)c1nc(N(C)CCCN(C)C)c2cccnc2c1O.
What is the InChIKey of ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
The InChIKey is POBOIUHEVQAZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3.C2H6O.C2H6/c1-19(2)9-6-10-20(3)15-11-7-5-8-17-12(11)14(21)13(18-15)16(22)23-4;1-3-2;1-2/h5,7-8,21H,6,9-10H2,1-4H3;1-2H3;1-2H3.
What are the key properties of ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate?
ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate has a molecular weight of 394.52 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methoxymethane;methyl 5-[3-(dimethylamino)propyl-methylamino]-8-hydroxy-1,6-naphthyridine-7-carboxylate is sourced from PubChem (CID 142807716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).