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

C23H30N4O2 — CID 21073817

IUPAC7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-2-3-7-20(18)27-15-13-26(14-16-27)12-4-5-17-29-22-11-9-19-8-10-21(28)24-23(19)25-22/h2-3,6-7,9,11H,4-5,8,10,12-17H2,1H3,(H,24,25,28)
InChIKeyCRHLQSKLPOQEER-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.26
Rot. Bonds7

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

7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 21073817) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID21073817
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1
InChIInChI=1S/C23H30N4O2/c1-18-6-2-3-7-20(18)27-15-13-26(14-16-27)12-4-5-17-29-22-11-9-19-8-10-21(28)24-23(19)25-22/h2-3,6-7,9,11H,4-5,8,10,12-17H2,1H3,(H,24,25,28)
InChIKeyCRHLQSKLPOQEER-UHFFFAOYSA-N
XLogP3.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 21073817) is 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is Cc1ccccc1N1CCN(CCCCOc2ccc3c(n2)NC(=O)CC3)CC1.
What is the InChIKey of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is CRHLQSKLPOQEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-18-6-2-3-7-20(18)27-15-13-26(14-16-27)12-4-5-17-29-22-11-9-19-8-10-21(28)24-23(19)25-22/h2-3,6-7,9,11H,4-5,8,10,12-17H2,1H3,(H,24,25,28).
What are the key properties of 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 394.52 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methylphenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 21073817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).