8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine

C15H13N3 — CID 66892362

IUPAC8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
SMILESC/C=C\c1ccc2c(c1)nc(N)c1ncccc12
InChIInChI=1S/C15H13N3/c1-2-4-10-6-7-11-12-5-3-8-17-14(12)15(16)18-13(11)9-10/h2-9H,1H3,(H2,16,18)/b4-2-
InChIKeyOKPCNTWUHMZGDC-RQOWECAXSA-N
MW235.29 g/mol
LogP3.40
Rot. Bonds1

About 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine

8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine (PubChem CID 66892362) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine.

Molecular Properties

Compound Name8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
PubChem CID66892362
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine
SMILESC/C=C\c1ccc2c(c1)nc(N)c1ncccc12
InChIInChI=1S/C15H13N3/c1-2-4-10-6-7-11-12-5-3-8-17-14(12)15(16)18-13(11)9-10/h2-9H,1H3,(H2,16,18)/b4-2-
InChIKeyOKPCNTWUHMZGDC-RQOWECAXSA-N
XLogP3.40
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.40
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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Related Compounds

8-(2-phenylethyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213779
5-aminobenzo[f][1,7]naphthyridine-8-carboxylic acid
CID 58213546
3-prop-1-enylbenzo[f][1,7]naphthyridin-5-amine
CID 71256499
2-(2-methylprop-1-enyl)benzo[f][1,7]naphthyridin-5-amine
CID 58213774
6-[(E)-2-quinolin-6-ylethenyl]quinoline
CID 23251154
5-[(Z)-prop-1-enyl]quinolin-6-amine
CID 142145826
2,3-dimethylpyrazino[2,3-f][4,7]phenanthroline
CID 11425448
benzo[f][1,7]naphthyridine-8-carbaldehyde
CID 141302313
7-methyl-6-[(Z)-prop-1-enyl]quinoline
CID 144659352
7-[(E)-prop-1-enyl]quinolin-8-ol
CID 6312120
5-[(E)-but-2-enyl]-8-morpholin-4-yl-1,7-naphthyridin-6-amine
CID 15530259
7,8-dimethyl-1,6-naphthyridin-5-amine;7,8-dimethylpyrido[3,4-b]pyrazin-5-amine
CID 160677183

Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine?
The IUPAC name of 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine (CID 66892362) is 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine.
What is the SMILES notation for 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine?
The canonical SMILES for 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine is C/C=C\c1ccc2c(c1)nc(N)c1ncccc12.
What is the InChIKey of 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine?
The InChIKey is OKPCNTWUHMZGDC-RQOWECAXSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-4-10-6-7-11-12-5-3-8-17-14(12)15(16)18-13(11)9-10/h2-9H,1H3,(H2,16,18)/b4-2-.
What are the key properties of 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine?
8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine has a molecular weight of 235.29 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-prop-1-enyl]benzo[f][1,7]naphthyridin-5-amine is sourced from PubChem (CID 66892362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).