8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine

C20H21N3 — CID 163664371

IUPAC8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine
SMILESC=C(/C=C\C)CCc1cnc2c(N)nc3cc(C)ccc3c2c1
InChIInChI=1S/C20H21N3/c1-4-5-13(2)6-8-15-11-17-16-9-7-14(3)10-18(16)23-20(21)19(17)22-12-15/h4-5,7,9-12H,2,6,8H2,1,3H3,(H2,21,23)/b5-4-
InChIKeyIXDDTNXBFIAKHQ-PLNGDYQASA-N
MW303.41 g/mol
LogP4.74
Rot. Bonds4

About 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine

8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine (PubChem CID 163664371) has the molecular formula C20H21N3 and a molecular weight of 303.41 g/mol. Its IUPAC name is 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine
PubChem CID163664371
Molecular FormulaC20H21N3
Molecular Weight303.41 g/mol
Exact Mass303.17
IUPAC Name8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine
SMILESC=C(/C=C\C)CCc1cnc2c(N)nc3cc(C)ccc3c2c1
InChIInChI=1S/C20H21N3/c1-4-5-13(2)6-8-15-11-17-16-9-7-14(3)10-18(16)23-20(21)19(17)22-12-15/h4-5,7,9-12H,2,6,8H2,1,3H3,(H2,21,23)/b5-4-
InChIKeyIXDDTNXBFIAKHQ-PLNGDYQASA-N
XLogP4.74
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine (CID 163664371) is 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine is C=C(/C=C\C)CCc1cnc2c(N)nc3cc(C)ccc3c2c1.
What is the InChIKey of 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is IXDDTNXBFIAKHQ-PLNGDYQASA-N. The full InChI is InChI=1S/C20H21N3/c1-4-5-13(2)6-8-15-11-17-16-9-7-14(3)10-18(16)23-20(21)19(17)22-12-15/h4-5,7,9-12H,2,6,8H2,1,3H3,(H2,21,23)/b5-4-.
What are the key properties of 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine?
8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 303.41 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-[(Z)-3-methylidenehex-4-enyl]benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 163664371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).