4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid

C19H14Cl2N2O2 — CID 21273619

IUPAC4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3nc4cc(Cl)ccc4c(Cl)c3C2)cc1
InChIInChI=1S/C19H14Cl2N2O2/c20-12-3-6-14-17(9-12)22-16-7-8-23(10-15(16)18(14)21)13-4-1-11(2-5-13)19(24)25/h1-6,9H,7-8,10H2,(H,24,25)
InChIKeyWRFUUJFPHFUJBM-UHFFFAOYSA-N
MW373.24 g/mol
LogP4.80
Rot. Bonds2

About 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid

4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid (PubChem CID 21273619) has the molecular formula C19H14Cl2N2O2 and a molecular weight of 373.24 g/mol. Its IUPAC name is 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid
PubChem CID21273619
Molecular FormulaC19H14Cl2N2O2
Molecular Weight373.24 g/mol
Exact Mass372.04
IUPAC Name4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid
SMILESO=C(O)c1ccc(N2CCc3nc4cc(Cl)ccc4c(Cl)c3C2)cc1
InChIInChI=1S/C19H14Cl2N2O2/c20-12-3-6-14-17(9-12)22-16-7-8-23(10-15(16)18(14)21)13-4-1-11(2-5-13)19(24)25/h1-6,9H,7-8,10H2,(H,24,25)
InChIKeyWRFUUJFPHFUJBM-UHFFFAOYSA-N
XLogP4.80
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.24
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid?
The IUPAC name of 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid (CID 21273619) is 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid.
What is the SMILES notation for 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid?
The canonical SMILES for 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid is O=C(O)c1ccc(N2CCc3nc4cc(Cl)ccc4c(Cl)c3C2)cc1.
What is the InChIKey of 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid?
The InChIKey is WRFUUJFPHFUJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O2/c20-12-3-6-14-17(9-12)22-16-7-8-23(10-15(16)18(14)21)13-4-1-11(2-5-13)19(24)25/h1-6,9H,7-8,10H2,(H,24,25).
What are the key properties of 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid?
4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid has a molecular weight of 373.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,10-dichloro-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl)benzoic acid is sourced from PubChem (CID 21273619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).