2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate

C21H27N3O4 — CID 162238995

IUPAC2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCOc1cc(C)ccc1C1C(C(=O)OCCN)=C(C)NC2=C1C(O)NC=C2C
InChIInChI=1S/C21H27N3O4/c1-11-5-6-14(15(9-11)27-4)17-16(21(26)28-8-7-22)13(3)24-19-12(2)10-23-20(25)18(17)19/h5-6,9-10,17,20,23-25H,7-8,22H2,1-4H3
InChIKeyZWLIIOJOAZLDIL-UHFFFAOYSA-N
MW385.46 g/mol
LogP1.55
Rot. Bonds5

About 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate

2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate (PubChem CID 162238995) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate.

Molecular Properties

Compound Name2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
PubChem CID162238995
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
SMILESCOc1cc(C)ccc1C1C(C(=O)OCCN)=C(C)NC2=C1C(O)NC=C2C
InChIInChI=1S/C21H27N3O4/c1-11-5-6-14(15(9-11)27-4)17-16(21(26)28-8-7-22)13(3)24-19-12(2)10-23-20(25)18(17)19/h5-6,9-10,17,20,23-25H,7-8,22H2,1-4H3
InChIKeyZWLIIOJOAZLDIL-UHFFFAOYSA-N
XLogP1.55
TPSA105.84 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

2-aminoethyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 152831744
5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylic acid
CID 145007776
2-cyanoethyl 4-(4-amino-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 146642322
(4S)-4-(4-cyano-2-methoxyphenyl)-5-ethoxy-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxamide
CID 170687340
2-methoxyethyl (4S)-4-(2,4-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7733634
ethane;methane;propyl 5-ethoxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylate
CID 145007763
butyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7451999
butyl 4-(2,5-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2855107
ethyl (4R)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 675136
2-phenylethyl 4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3100141
2-phenylethyl (4S)-4-(2,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1092138
propyl 4-(2-chloro-3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110843970

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The IUPAC name of 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate (CID 162238995) is 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate.
What is the SMILES notation for 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The canonical SMILES for 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate is COc1cc(C)ccc1C1C(C(=O)OCCN)=C(C)NC2=C1C(O)NC=C2C.
What is the InChIKey of 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
The InChIKey is ZWLIIOJOAZLDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-11-5-6-14(15(9-11)27-4)17-16(21(26)28-8-7-22)13(3)24-19-12(2)10-23-20(25)18(17)19/h5-6,9-10,17,20,23-25H,7-8,22H2,1-4H3.
What are the key properties of 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate?
2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate has a molecular weight of 385.46 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl 5-hydroxy-4-(2-methoxy-4-methylphenyl)-2,8-dimethyl-1,4,5,6-tetrahydro-1,6-naphthyridine-3-carboxylate is sourced from PubChem (CID 162238995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).