N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide

C23H28ClN5O — CID 118735360

IUPACN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/C(C)=N/CCCN3CCCCC3)c2n1
InChIInChI=1S/C23H28ClN5O/c1-16(25-11-6-14-29-12-4-3-5-13-29)26-22-18-8-7-17(24)15-20(18)27-19-9-10-21(30-2)28-23(19)22/h7-10,15H,3-6,11-14H2,1-2H3,(H,25,26,27)
InChIKeyCTQCPDNVZOVLCB-UHFFFAOYSA-N
MW425.96 g/mol
LogP5.15
Rot. Bonds6

About N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide

N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide (PubChem CID 118735360) has the molecular formula C23H28ClN5O and a molecular weight of 425.96 g/mol. Its IUPAC name is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide.

Molecular Properties

Compound NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
PubChem CID118735360
Molecular FormulaC23H28ClN5O
Molecular Weight425.96 g/mol
Exact Mass425.20
IUPAC NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/C(C)=N/CCCN3CCCCC3)c2n1
InChIInChI=1S/C23H28ClN5O/c1-16(25-11-6-14-29-12-4-3-5-13-29)26-22-18-8-7-17(24)15-20(18)27-19-9-10-21(30-2)28-23(19)22/h7-10,15H,3-6,11-14H2,1-2H3,(H,25,26,27)
InChIKeyCTQCPDNVZOVLCB-UHFFFAOYSA-N
XLogP5.15
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.96
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(+-)-Quinacrine
CID 237
(R)-quinacrine
CID 446536
1-Aza-6,9-dichloro-2-methoxyacridine
CID 23107
N,N'-Bis(6-chloro-2-methoxy-9-acridinyl)-1,4-piperazinedipropanamine
CID 9831373
6-chloro-2-methoxy-N-(3-pyridyl)acridin-9-amine
CID 408350
(4-Aminobutyl)(3-aminopropyl){3-[(6-chloro-2-methyloxyacridin-9-yl)amino]propyl}amine
CID 470828
N-[(4-chlorophenyl)methyl]-1-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]piperidin-4-amine
CID 154685085
N-(6-chloro-2-methoxyacridin-9-yl)-N'-[3-[(6-chloro-2-methoxyacridin-9-yl)amino]propyl]-N'-methylpropane-1,3-diamine
CID 44422529
Acrichin 8
CID 22709
Acridine, 3-chloro-9-(3-diethylamino)propylamino-7-methoxy-
CID 406981
1,2-Ethanediamine, N'-(6-chloro-2-methoxy-9-acridinyl)-N,N-diethyl-
CID 12027827
2-Butoxy-7,10-dichlorobenzo(b)-1,5-naphthyridine
CID 96226

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide (CID 118735360) is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide.
What is the SMILES notation for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The canonical SMILES for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide is COc1ccc2nc3cc(Cl)ccc3c(N/C(C)=N/CCCN3CCCCC3)c2n1.
What is the InChIKey of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
The InChIKey is CTQCPDNVZOVLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN5O/c1-16(25-11-6-14-29-12-4-3-5-13-29)26-22-18-8-7-17(24)15-20(18)27-19-9-10-21(30-2)28-23(19)22/h7-10,15H,3-6,11-14H2,1-2H3,(H,25,26,27).
What are the key properties of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide?
N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide has a molecular weight of 425.96 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-N'-(3-piperidin-1-ylpropyl)ethanimidamide is sourced from PubChem (CID 118735360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).