7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one

C13H12N2O — CID 122402084

IUPAC7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one
SMILESCc1ccc2nc3c(cc2c1)CCNC3=O
InChIInChI=1S/C13H12N2O/c1-8-2-3-11-10(6-8)7-9-4-5-14-13(16)12(9)15-11/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyOLHATWWBSCPPEO-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.83
Rot. Bonds

About 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one

7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one (PubChem CID 122402084) has the molecular formula C13H12N2O and a molecular weight of 212.25 g/mol. Its IUPAC name is 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one.

Molecular Properties

Compound Name7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one
PubChem CID122402084
Molecular FormulaC13H12N2O
Molecular Weight212.25 g/mol
Exact Mass212.09
IUPAC Name7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one
SMILESCc1ccc2nc3c(cc2c1)CCNC3=O
InChIInChI=1S/C13H12N2O/c1-8-2-3-11-10(6-8)7-9-4-5-14-13(16)12(9)15-11/h2-3,6-7H,4-5H2,1H3,(H,14,16)
InChIKeyOLHATWWBSCPPEO-UHFFFAOYSA-N
XLogP1.83
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one?
The IUPAC name of 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one (CID 122402084) is 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one.
What is the SMILES notation for 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one?
The canonical SMILES for 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one is Cc1ccc2nc3c(cc2c1)CCNC3=O.
What is the InChIKey of 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one?
The InChIKey is OLHATWWBSCPPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O/c1-8-2-3-11-10(6-8)7-9-4-5-14-13(16)12(9)15-11/h2-3,6-7H,4-5H2,1H3,(H,14,16).
What are the key properties of 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one?
7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one has a molecular weight of 212.25 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3,4-dihydro-2H-benzo[b][1,7]naphthyridin-1-one is sourced from PubChem (CID 122402084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).