7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

C18H19ClN2O4 — CID 170264891

IUPAC7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCC(C)COC(=O)N1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C18H19ClN2O4/c1-10(2)9-25-18(24)21-6-5-14-13(8-21)16(17(22)23)12-4-3-11(19)7-15(12)20-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyZCUCJRGSVDALGL-UHFFFAOYSA-N
MW362.81 g/mol
LogP3.74
Rot. Bonds3

About 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid

7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (PubChem CID 170264891) has the molecular formula C18H19ClN2O4 and a molecular weight of 362.81 g/mol. Its IUPAC name is 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.

Molecular Properties

Compound Name7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
PubChem CID170264891
Molecular FormulaC18H19ClN2O4
Molecular Weight362.81 g/mol
Exact Mass362.10
IUPAC Name7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid
SMILESCC(C)COC(=O)N1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1
InChIInChI=1S/C18H19ClN2O4/c1-10(2)9-25-18(24)21-6-5-14-13(8-21)16(17(22)23)12-4-3-11(19)7-15(12)20-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,22,23)
InChIKeyZCUCJRGSVDALGL-UHFFFAOYSA-N
XLogP3.74
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.81
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The IUPAC name of 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid (CID 170264891) is 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid.
What is the SMILES notation for 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The canonical SMILES for 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is CC(C)COC(=O)N1CCc2nc3cc(Cl)ccc3c(C(=O)O)c2C1.
What is the InChIKey of 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
The InChIKey is ZCUCJRGSVDALGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O4/c1-10(2)9-25-18(24)21-6-5-14-13(8-21)16(17(22)23)12-4-3-11(19)7-15(12)20-14/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,22,23).
What are the key properties of 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid?
7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid has a molecular weight of 362.81 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-methylpropoxycarbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carboxylic acid is sourced from PubChem (CID 170264891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).