2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid

C16H17ClN2O2 — CID 82451803

IUPAC2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
SMILESCc1cc(Cl)cc2c(CC(=O)O)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H17ClN2O2/c1-9-5-10(17)6-12-11(7-15(20)21)13-8-19(2)4-3-14(13)18-16(9)12/h5-6H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyCPYKEQIFOFMBHX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.81
Rot. Bonds2

About 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid

2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid (PubChem CID 82451803) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid.

Molecular Properties

Compound Name2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
PubChem CID82451803
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid
SMILESCc1cc(Cl)cc2c(CC(=O)O)c3c(nc12)CCN(C)C3
InChIInChI=1S/C16H17ClN2O2/c1-9-5-10(17)6-12-11(7-15(20)21)13-8-19(2)4-3-14(13)18-16(9)12/h5-6H,3-4,7-8H2,1-2H3,(H,20,21)
InChIKeyCPYKEQIFOFMBHX-UHFFFAOYSA-N
XLogP2.81
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid with MolForge

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Related Compounds

3-(7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl)propanoic acid
CID 82451847
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
7-chloro-5-methyl-2,3-dihydro-1H-cyclopenta[b]quinoline-9-carbohydrazide
CID 82451849
(6,7-dichloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82451582
2-(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)acetonitrile
CID 82451782
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanamine
CID 82450182
2-(2,5-dimethyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)acetic acid
CID 83862715
(6-ethyl-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanethiol
CID 82450181
8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridine-10-carbothioamide
CID 82451391
2-(6-chloro-1,2,8-trimethyl-4-oxoquinolin-3-yl)acetic acid
CID 82248913
(8-chloro-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)hydrazine
CID 15631971
(8-bromo-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451326

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid?
The IUPAC name of 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid (CID 82451803) is 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid.
What is the SMILES notation for 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid?
The canonical SMILES for 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid is Cc1cc(Cl)cc2c(CC(=O)O)c3c(nc12)CCN(C)C3.
What is the InChIKey of 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid?
The InChIKey is CPYKEQIFOFMBHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-9-5-10(17)6-12-11(7-15(20)21)13-8-19(2)4-3-14(13)18-16(9)12/h5-6H,3-4,7-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid?
2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid has a molecular weight of 304.78 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)acetic acid is sourced from PubChem (CID 82451803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).