6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C26H26N4O2 — CID 71261711

IUPAC6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccc5ccccc5n4)CC3)cnc2N1
InChIInChI=1S/C26H26N4O2/c31-24-9-7-21-15-19(17-27-26(21)29-24)5-10-25(32)30-13-11-18(12-14-30)16-22-8-6-20-3-1-2-4-23(20)28-22/h1-6,8,10,15,17-18H,7,9,11-14,16H2,(H,27,29,31)/b10-5+
InChIKeyZQTAEZFXWDQXHL-BJMVGYQFSA-N
MW426.52 g/mol
LogP4.01
Rot. Bonds4

About 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one

6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 71261711) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID71261711
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccc5ccccc5n4)CC3)cnc2N1
InChIInChI=1S/C26H26N4O2/c31-24-9-7-21-15-19(17-27-26(21)29-24)5-10-25(32)30-13-11-18(12-14-30)16-22-8-6-20-3-1-2-4-23(20)28-22/h1-6,8,10,15,17-18H,7,9,11-14,16H2,(H,27,29,31)/b10-5+
InChIKeyZQTAEZFXWDQXHL-BJMVGYQFSA-N
XLogP4.01
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 71261711) is 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2cc(/C=C/C(=O)N3CCC(Cc4ccc5ccccc5n4)CC3)cnc2N1.
What is the InChIKey of 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is ZQTAEZFXWDQXHL-BJMVGYQFSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-24-9-7-21-15-19(17-27-26(21)29-24)5-10-25(32)30-13-11-18(12-14-30)16-22-8-6-20-3-1-2-4-23(20)28-22/h1-6,8,10,15,17-18H,7,9,11-14,16H2,(H,27,29,31)/b10-5+.
What are the key properties of 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 426.52 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-3-oxo-3-[4-(quinolin-2-ylmethyl)piperidin-1-yl]prop-1-enyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 71261711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).