5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one

C24H22N4O3 — CID 162664560

IUPAC5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one
SMILESCOc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cnccc43)CC2)c1
InChIInChI=1S/C24H22N4O3/c1-31-18-6-4-5-17(15-18)26-11-13-27(14-12-26)24(30)28-21-8-3-2-7-19(21)23(29)20-16-25-10-9-22(20)28/h2-10,15-16H,11-14H2,1H3
InChIKeyQWIRZUSKUZYBJH-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.35
Rot. Bonds2

About 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one

5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one (PubChem CID 162664560) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one.

Molecular Properties

Compound Name5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one
PubChem CID162664560
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one
SMILESCOc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cnccc43)CC2)c1
InChIInChI=1S/C24H22N4O3/c1-31-18-6-4-5-17(15-18)26-11-13-27(14-12-26)24(30)28-21-8-3-2-7-19(21)23(29)20-16-25-10-9-22(20)28/h2-10,15-16H,11-14H2,1H3
InChIKeyQWIRZUSKUZYBJH-UHFFFAOYSA-N
XLogP3.35
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one?
The IUPAC name of 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one (CID 162664560) is 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one.
What is the SMILES notation for 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one?
The canonical SMILES for 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one is COc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cnccc43)CC2)c1.
What is the InChIKey of 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one?
The InChIKey is QWIRZUSKUZYBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-18-6-4-5-17(15-18)26-11-13-27(14-12-26)24(30)28-21-8-3-2-7-19(21)23(29)20-16-25-10-9-22(20)28/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one?
5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one has a molecular weight of 414.47 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,6]naphthyridin-10-one is sourced from PubChem (CID 162664560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).