10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one

C24H22N4O3 — CID 162650403

IUPAC10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
SMILESCOc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cccnc32)CC1
InChIInChI=1S/C24H22N4O3/c1-31-21-11-5-4-10-20(21)26-13-15-27(16-14-26)24(30)28-19-9-3-2-7-17(19)22(29)18-8-6-12-25-23(18)28/h2-12H,13-16H2,1H3
InChIKeySVUPERKVWKIZHK-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.35
Rot. Bonds2

About 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one

10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one (PubChem CID 162650403) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
PubChem CID162650403
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
SMILESCOc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cccnc32)CC1
InChIInChI=1S/C24H22N4O3/c1-31-21-11-5-4-10-20(21)26-13-15-27(16-14-26)24(30)28-19-9-3-2-7-17(19)22(29)18-8-6-12-25-23(18)28/h2-12H,13-16H2,1H3
InChIKeySVUPERKVWKIZHK-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 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one (CID 162650403) is 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one is COc1ccccc1N1CCN(C(=O)n2c3ccccc3c(=O)c3cccnc32)CC1.
What is the InChIKey of 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The InChIKey is SVUPERKVWKIZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-21-11-5-4-10-20(21)26-13-15-27(16-14-26)24(30)28-19-9-3-2-7-17(19)22(29)18-8-6-12-25-23(18)28/h2-12H,13-16H2,1H3.
What are the key properties of 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-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 10-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 162650403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).