7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C27H33N5O4 — CID 21073526

IUPAC7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(OCCO)nc45)CC3)nc2N1
InChIInChI=1S/C27H33N5O4/c33-17-19-36-24-10-7-20-4-3-5-22(26(20)29-24)32-15-13-31(14-16-32)12-1-2-18-35-25-11-8-21-6-9-23(34)28-27(21)30-25/h3-5,7-8,10-11,33H,1-2,6,9,12-19H2,(H,28,30,34)
InChIKeyQCRYQYUOTUNVKJ-UHFFFAOYSA-N
MW491.59 g/mol
LogP2.87
Rot. Bonds10

About 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073526) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073526
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESO=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(OCCO)nc45)CC3)nc2N1
InChIInChI=1S/C27H33N5O4/c33-17-19-36-24-10-7-20-4-3-5-22(26(20)29-24)32-15-13-31(14-16-32)12-1-2-18-35-25-11-8-21-6-9-23(34)28-27(21)30-25/h3-5,7-8,10-11,33H,1-2,6,9,12-19H2,(H,28,30,34)
InChIKeyQCRYQYUOTUNVKJ-UHFFFAOYSA-N
XLogP2.87
TPSA100.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

7-[4-[4-(2,1,3-benzoxadiazol-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 69419353
7-[4-[4-(5-fluoronaphthalen-1-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073716
7-[4-[4-(2-oxo-1,3-dihydroinden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073630
7-[4-[4-[7-(2-methoxyethoxy)naphthalen-1-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073741
7-[4-[4-(1,2,3,4-tetrahydroisoquinolin-5-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073481
7-[4-(4-phenylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073818
7-[4-(4-isoquinolin-4-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 11683437
7-[4-[4-(2,2-dimethyl-3-oxo-1H-inden-4-yl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073518
7-[4-(4-isoquinolin-4-yl-1,4-diazepan-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 56598478
7-[3-[4-(3,4-dihydro-2H-chromen-8-yl)piperazin-1-yl]propoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073475
7-[4-[4-(3-ethylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 21073663
7-[4-(4-thieno[2,3-c]pyridin-7-ylpiperazin-1-yl)butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 11676487

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073526) is 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is O=C1CCc2ccc(OCCCCN3CCN(c4cccc5ccc(OCCO)nc45)CC3)nc2N1.
What is the InChIKey of 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QCRYQYUOTUNVKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c33-17-19-36-24-10-7-20-4-3-5-22(26(20)29-24)32-15-13-31(14-16-32)12-1-2-18-35-25-11-8-21-6-9-23(34)28-27(21)30-25/h3-5,7-8,10-11,33H,1-2,6,9,12-19H2,(H,28,30,34).
What are the key properties of 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 491.59 g/mol, XLogP of 2.87, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-[2-(2-hydroxyethoxy)quinolin-8-yl]piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).