6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

C14H13N3O — CID 67416123

IUPAC6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC(C)c1nc2cc[nH]c(=O)c2c2cnccc12
InChIInChI=1S/C14H13N3O/c1-8(2)13-9-3-5-15-7-10(9)12-11(17-13)4-6-16-14(12)18/h3-8H,1-2H3,(H,16,18)
InChIKeyLAOJSBNINJDBHY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.59
Rot. Bonds1

About 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one

6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (PubChem CID 67416123) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.

Molecular Properties

Compound Name6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
PubChem CID67416123
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one
SMILESCC(C)c1nc2cc[nH]c(=O)c2c2cnccc12
InChIInChI=1S/C14H13N3O/c1-8(2)13-9-3-5-15-7-10(9)12-11(17-13)4-6-16-14(12)18/h3-8H,1-2H3,(H,16,18)
InChIKeyLAOJSBNINJDBHY-UHFFFAOYSA-N
XLogP2.59
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
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-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The IUPAC name of 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one (CID 67416123) is 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one.
What is the SMILES notation for 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The canonical SMILES for 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is CC(C)c1nc2cc[nH]c(=O)c2c2cnccc12.
What is the InChIKey of 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
The InChIKey is LAOJSBNINJDBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-8(2)13-9-3-5-15-7-10(9)12-11(17-13)4-6-16-14(12)18/h3-8H,1-2H3,(H,16,18).
What are the key properties of 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one?
6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one has a molecular weight of 239.28 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2H-pyrido[4,3-c][1,6]naphthyridin-1-one is sourced from PubChem (CID 67416123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).