4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

C18H25ClN4O2 — CID 10361449

IUPAC4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c([N+](=O)[O-])cnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN4O2/c1-4-22(5-2)10-6-7-13(3)21-18-15-9-8-14(19)11-16(15)20-12-17(18)23(24)25/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyVUUJVASZOJJHEP-UHFFFAOYSA-N
MW364.88 g/mol
LogP4.72
Rot. Bonds9

About 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine

4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 10361449) has the molecular formula C18H25ClN4O2 and a molecular weight of 364.88 g/mol. Its IUPAC name is 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID10361449
Molecular FormulaC18H25ClN4O2
Molecular Weight364.88 g/mol
Exact Mass364.17
IUPAC Name4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)Nc1c([N+](=O)[O-])cnc2cc(Cl)ccc12
InChIInChI=1S/C18H25ClN4O2/c1-4-22(5-2)10-6-7-13(3)21-18-15-9-8-14(19)11-16(15)20-12-17(18)23(24)25/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21)
InChIKeyVUUJVASZOJJHEP-UHFFFAOYSA-N
XLogP4.72
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Chloroquine
CID 2719
Chloroquine Phosphate
CID 64927
Hydroxychloroquine
CID 3652
(+-)-Desethylhydroxychloroquine
CID 71826
(+-)-Desethylchloroquine
CID 95478
(+-)-Chloroquine diphosphate
CID 83818
4-Amino-7-chloroquinoline
CID 94711
Bisdesethylchloroquine
CID 122672
Chloroquine Sulfate
CID 91441
Sontoquine
CID 66553
Ro 41-3118
CID 408190
(-)-Chloroquine
CID 444810

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine (CID 10361449) is 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)Nc1c([N+](=O)[O-])cnc2cc(Cl)ccc12.
What is the InChIKey of 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is VUUJVASZOJJHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2/c1-4-22(5-2)10-6-7-13(3)21-18-15-9-8-14(19)11-16(15)20-12-17(18)23(24)25/h8-9,11-13H,4-7,10H2,1-3H3,(H,20,21).
What are the key properties of 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine?
4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 364.88 g/mol, XLogP of 4.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-chloro-3-nitroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 10361449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).