10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one

C24H22N4O3 — CID 162649614

IUPAC10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
SMILESCOc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cccnc43)CC2)c1
InChIInChI=1S/C24H22N4O3/c1-31-18-7-4-6-17(16-18)26-12-14-27(15-13-26)24(30)28-21-10-3-2-8-19(21)22(29)20-9-5-11-25-23(20)28/h2-11,16H,12-15H2,1H3
InChIKeyXRIJVMFJRKBRPA-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.35
Rot. Bonds2

About 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one

10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one (PubChem CID 162649614) has the molecular formula C24H22N4O3 and a molecular weight of 414.47 g/mol. Its IUPAC name is 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
PubChem CID162649614
Molecular FormulaC24H22N4O3
Molecular Weight414.47 g/mol
Exact Mass414.17
IUPAC Name10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one
SMILESCOc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cccnc43)CC2)c1
InChIInChI=1S/C24H22N4O3/c1-31-18-7-4-6-17(16-18)26-12-14-27(15-13-26)24(30)28-21-10-3-2-8-19(21)22(29)20-9-5-11-25-23(20)28/h2-11,16H,12-15H2,1H3
InChIKeyXRIJVMFJRKBRPA-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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Related Compounds

4-iodo-N-(2-(4-(methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 4658
Mppf F-18
CID 449646
4-Fluoro-N-(2-(4-(2-methoxyphenyl)-1-piperazinyl)ethyl)-N-2-pyridinylbenzamide
CID 6603915
Bilr-402
CID 3010666
2-(4-Ethoxyphenyl)-4-[(4-pyridin-2-ylpiperazin-1-yl)carbonyl]quinoline
CID 3238892
3-(3-methoxyphenyl)-6-nitro-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]quinazolin-4(3H)-one
CID 16193024
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-N-pyridin-2-yl-benzamide
CID 9823206
N-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-4-methyl-N-pyridin-2-yl-benzamide
CID 10025720
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-N-(4-methoxybenzyl)-2-methylpiperazine-1-carboxamide
CID 16662875
3-[5-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-2-yl]-8-[4-(trifluoromethoxy)phenyl]quinazolin-4-one
CID 137633563
3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-8-(4-methoxyphenyl)quinazolin-4-one
CID 137661219
6-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762429

Frequently Asked Questions

What is the IUPAC name of 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The IUPAC name of 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one (CID 162649614) is 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The canonical SMILES for 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one is COc1cccc(N2CCN(C(=O)n3c4ccccc4c(=O)c4cccnc43)CC2)c1.
What is the InChIKey of 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
The InChIKey is XRIJVMFJRKBRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3/c1-31-18-7-4-6-17(16-18)26-12-14-27(15-13-26)24(30)28-21-10-3-2-8-19(21)22(29)20-9-5-11-25-23(20)28/h2-11,16H,12-15H2,1H3.
What are the key properties of 10-[4-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one?
10-[4-(3-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-(3-methoxyphenyl)piperazine-1-carbonyl]benzo[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 162649614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).