(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid

C20H22N2O4 — CID 169246676

IUPAC(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOc1ncc(C)c2c1[C@H](c1ccccc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C20H22N2O4/c1-5-26-19-17-16(13-8-6-7-9-14(13)25-4)15(20(23)24)12(3)22-18(17)11(2)10-21-19/h6-10,16,22H,5H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyCSWNNHBGJHECOQ-MRXNPFEDSA-N
MW354.41 g/mol
LogP3.71
Rot. Bonds5

About (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid

(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid (PubChem CID 169246676) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
PubChem CID169246676
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid
SMILESCCOc1ncc(C)c2c1[C@H](c1ccccc1OC)C(C(=O)O)=C(C)N2
InChIInChI=1S/C20H22N2O4/c1-5-26-19-17-16(13-8-6-7-9-14(13)25-4)15(20(23)24)12(3)22-18(17)11(2)10-21-19/h6-10,16,22H,5H2,1-4H3,(H,23,24)/t16-/m1/s1
InChIKeyCSWNNHBGJHECOQ-MRXNPFEDSA-N
XLogP3.71
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The IUPAC name of (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid (CID 169246676) is (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid.
What is the SMILES notation for (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The canonical SMILES for (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid is CCOc1ncc(C)c2c1[C@H](c1ccccc1OC)C(C(=O)O)=C(C)N2.
What is the InChIKey of (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
The InChIKey is CSWNNHBGJHECOQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-5-26-19-17-16(13-8-6-7-9-14(13)25-4)15(20(23)24)12(3)22-18(17)11(2)10-21-19/h6-10,16,22H,5H2,1-4H3,(H,23,24)/t16-/m1/s1.
What are the key properties of (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid?
(4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid has a molecular weight of 354.41 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-ethoxy-4-(2-methoxyphenyl)-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 169246676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).