[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone

C24H23N5O — CID 25253608

IUPAC[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc(N)c2)c2ccncc23)CC1
InChIInChI=1S/C24H23N5O/c1-28-9-11-29(12-10-28)24(30)17-5-6-19-21-15-26-8-7-20(21)23(27-22(19)14-17)16-3-2-4-18(25)13-16/h2-8,13-15H,9-12,25H2,1H3
InChIKeyQSLAMUOYHCCHKK-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.42
Rot. Bonds2

About [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone

[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 25253608) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID25253608
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc(N)c2)c2ccncc23)CC1
InChIInChI=1S/C24H23N5O/c1-28-9-11-29(12-10-28)24(30)17-5-6-19-21-15-26-8-7-20(21)23(27-22(19)14-17)16-3-2-4-18(25)13-16/h2-8,13-15H,9-12,25H2,1H3
InChIKeyQSLAMUOYHCCHKK-UHFFFAOYSA-N
XLogP3.42
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminophenyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 91665654
(5-cycloheptylbenzo[c][2,6]naphthyridin-8-yl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 25253458
(3-aminophenyl)-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 19842351
[4-(3-amino-4-pyridinyl)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90205745
[4-(3-amino-4-pyridinyl)-3-chlorophenyl]-(4-methylpiperazin-1-yl)methanone
CID 134574555
N-[[3-[3-[3-(methanesulfonamidomethyl)phenyl]-6-(4-methylpiperazine-1-carbonyl)quinoxalin-2-yl]phenyl]methyl]methanesulfonamide
CID 169286560
[2-(4-fluorophenyl)-3-[3-(hydroxymethyl)phenyl]quinoxalin-6-yl]-(4-methylpiperazin-1-yl)methanone
CID 169286573
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
propyl 4-[3-amino-2-[3-(aminomethyl)phenyl]-4-methylquinoline-7-carbonyl]piperazine-1-carboxylate
CID 163434059
(2,3-dimethylquinoxalin-6-yl)-[4-(pyridine-3-carbonyl)piperazin-1-yl]methanone
CID 108533154
(2-phenyl-3-pyridin-4-ylquinoxalin-6-yl)-piperidin-1-ylmethanone
CID 135300433
[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 162432808

Frequently Asked Questions

What is the IUPAC name of [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone (CID 25253608) is [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc3c(c2)nc(-c2cccc(N)c2)c2ccncc23)CC1.
What is the InChIKey of [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QSLAMUOYHCCHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-28-9-11-29(12-10-28)24(30)17-5-6-19-21-15-26-8-7-20(21)23(27-22(19)14-17)16-3-2-4-18(25)13-16/h2-8,13-15H,9-12,25H2,1H3.
What are the key properties of [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 397.48 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-aminophenyl)benzo[c][2,6]naphthyridin-8-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 25253608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).