6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one

C17H16N2O — CID 176916120

IUPAC6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
SMILESCc1ccc2c(=O)n(CC3CC3)c3ccccc3c2n1
InChIInChI=1S/C17H16N2O/c1-11-6-9-14-16(18-11)13-4-2-3-5-15(13)19(17(14)20)10-12-7-8-12/h2-6,9,12H,7-8,10H2,1H3
InChIKeyVDKAWZIMGOTWEG-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.27
Rot. Bonds2

About 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one

6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one (PubChem CID 176916120) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one.

Molecular Properties

Compound Name6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
PubChem CID176916120
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one
SMILESCc1ccc2c(=O)n(CC3CC3)c3ccccc3c2n1
InChIInChI=1S/C17H16N2O/c1-11-6-9-14-16(18-11)13-4-2-3-5-15(13)19(17(14)20)10-12-7-8-12/h2-6,9,12H,7-8,10H2,1H3
InChIKeyVDKAWZIMGOTWEG-UHFFFAOYSA-N
XLogP3.27
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one?
The IUPAC name of 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one (CID 176916120) is 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one.
What is the SMILES notation for 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one?
The canonical SMILES for 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one is Cc1ccc2c(=O)n(CC3CC3)c3ccccc3c2n1.
What is the InChIKey of 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one?
The InChIKey is VDKAWZIMGOTWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-11-6-9-14-16(18-11)13-4-2-3-5-15(13)19(17(14)20)10-12-7-8-12/h2-6,9,12H,7-8,10H2,1H3.
What are the key properties of 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one?
6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one has a molecular weight of 264.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylmethyl)-2-methylbenzo[h][1,6]naphthyridin-5-one is sourced from PubChem (CID 176916120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).