2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine

C16H19N3 — CID 135463425

IUPAC2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine
SMILES[H]/N=C1\c2cc(C)cc(C)c2NC2N=C(C)C=C(C)C12
InChIInChI=1S/C16H19N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7,13,16-17,19H,1-4H3/b17-14+
InChIKeyPPJRYECDULHRDC-SAPNQHFASA-N
MW253.35 g/mol
LogP3.46
Rot. Bonds

About 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine

2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine (PubChem CID 135463425) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine.

Molecular Properties

Compound Name2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine
PubChem CID135463425
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine
SMILES[H]/N=C1\c2cc(C)cc(C)c2NC2N=C(C)C=C(C)C12
InChIInChI=1S/C16H19N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7,13,16-17,19H,1-4H3/b17-14+
InChIKeyPPJRYECDULHRDC-SAPNQHFASA-N
XLogP3.46
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine?
The IUPAC name of 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine (CID 135463425) is 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine.
What is the SMILES notation for 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine?
The canonical SMILES for 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine is [H]/N=C1\c2cc(C)cc(C)c2NC2N=C(C)C=C(C)C12.
What is the InChIKey of 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine?
The InChIKey is PPJRYECDULHRDC-SAPNQHFASA-N. The full InChI is InChI=1S/C16H19N3/c1-8-5-10(3)15-12(6-8)14(17)13-9(2)7-11(4)18-16(13)19-15/h5-7,13,16-17,19H,1-4H3/b17-14+.
What are the key properties of 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine?
2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine has a molecular weight of 253.35 g/mol, XLogP of 3.46, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,9-tetramethyl-10,10a-dihydro-4aH-benzo[b][1,8]naphthyridin-5-imine is sourced from PubChem (CID 135463425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).