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

C25H32ClN5O — CID 118735499

IUPACN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN3CCCCC3)C(C)C)c2n1
InChIInChI=1S/C25H32ClN5O/c1-17(2)25(27-12-7-15-31-13-5-4-6-14-31)30-23-19-9-8-18(26)16-21(19)28-20-10-11-22(32-3)29-24(20)23/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,27,28,30)
InChIKeyVRBXGAVBZFGBAE-UHFFFAOYSA-N
MW454.02 g/mol
LogP5.79
Rot. Bonds7

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

N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide (PubChem CID 118735499) has the molecular formula C25H32ClN5O and a molecular weight of 454.02 g/mol. Its IUPAC name is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide.

Molecular Properties

Compound NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide
PubChem CID118735499
Molecular FormulaC25H32ClN5O
Molecular Weight454.02 g/mol
Exact Mass453.23
IUPAC NameN-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide
SMILESCOc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN3CCCCC3)C(C)C)c2n1
InChIInChI=1S/C25H32ClN5O/c1-17(2)25(27-12-7-15-31-13-5-4-6-14-31)30-23-19-9-8-18(26)16-21(19)28-20-10-11-22(32-3)29-24(20)23/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,27,28,30)
InChIKeyVRBXGAVBZFGBAE-UHFFFAOYSA-N
XLogP5.79
TPSA62.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.02
LogP ≤ 55.79
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

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
1,2-Ethanediamine, N'-(6-chloro-2-methoxy-9-acridinyl)-N,N-diethyl-
CID 12027827
N4-[4-[(6-chloranyl-2-methoxy-acridin-9-yl)amino]butyl]-1,3,5-triazine-2,4,6-triamine
CID 71511622
1-[2-(4-chlorophenyl)ethyl]-N-(6-methoxy-1,5-naphthyridin-4-yl)piperidine-4-carboxamide
CID 122196526
Azacrin
CID 193196
N'-(6-chloro-2-methoxy-acridin-9-yl)ethane-1,2-diamine
CID 231822
6-chloro-N-[4-[4-[3-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)propyl]piperazin-1-yl]butyl]-2-methoxyacridin-9-amine
CID 11512936

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide?
The IUPAC name of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide (CID 118735499) is N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide.
What is the SMILES notation for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide?
The canonical SMILES for N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide is COc1ccc2nc3cc(Cl)ccc3c(N/C(=N/CCCN3CCCCC3)C(C)C)c2n1.
What is the InChIKey of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide?
The InChIKey is VRBXGAVBZFGBAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN5O/c1-17(2)25(27-12-7-15-31-13-5-4-6-14-31)30-23-19-9-8-18(26)16-21(19)28-20-10-11-22(32-3)29-24(20)23/h8-11,16-17H,4-7,12-15H2,1-3H3,(H,27,28,30).
What are the key properties of N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide?
N-(7-chloro-2-methoxybenzo[b][1,5]naphthyridin-10-yl)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide has a molecular weight of 454.02 g/mol, XLogP of 5.79, 7 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)-2-methyl-N'-(3-piperidin-1-ylpropyl)propanimidamide is sourced from PubChem (CID 118735499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).