4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide

C17H22ClN3O2 — CID 90077064

IUPAC4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide
SMILESCC(C)NCNC(=O)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O2/c1-12(2)20-11-21-17(22)4-3-9-23-16-7-8-19-15-10-13(18)5-6-14(15)16/h5-8,10,12,20H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyLVWZYBXMZIRHRX-UHFFFAOYSA-N
MW335.83 g/mol
LogP3.12
Rot. Bonds8

About 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide

4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide (PubChem CID 90077064) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide.

Molecular Properties

Compound Name4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide
PubChem CID90077064
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide
SMILESCC(C)NCNC(=O)CCCOc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O2/c1-12(2)20-11-21-17(22)4-3-9-23-16-7-8-19-15-10-13(18)5-6-14(15)16/h5-8,10,12,20H,3-4,9,11H2,1-2H3,(H,21,22)
InChIKeyLVWZYBXMZIRHRX-UHFFFAOYSA-N
XLogP3.12
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(7-chloroquinolin-4-yl)oxy-N-propan-2-ylpropan-1-amine
CID 62347734
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N'-[2-(7-chloroquinolin-4-yl)oxyethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 46225697
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
4-(4-chloro-2-methylphenoxy)-N-[(4-chlorophenyl)methyl]butanamide
CID 2094963
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
4-(4-chloro-2-methylphenoxy)-N-[2-[4-(4-chloro-2-methylphenoxy)butanoylamino]propyl]butanamide
CID 4125851
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
13-[(7-chloroquinolin-4-yl)amino]-13-oxotridecanoic acid
CID 156874842
2-(7-chloroquinolin-4-yl)oxy-1-(1,2,4-triazin-3-yl)ethanone
CID 163210326
N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
CID 46781267

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide?
The IUPAC name of 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide (CID 90077064) is 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide.
What is the SMILES notation for 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide?
The canonical SMILES for 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide is CC(C)NCNC(=O)CCCOc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide?
The InChIKey is LVWZYBXMZIRHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-12(2)20-11-21-17(22)4-3-9-23-16-7-8-19-15-10-13(18)5-6-14(15)16/h5-8,10,12,20H,3-4,9,11H2,1-2H3,(H,21,22).
What are the key properties of 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide?
4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide has a molecular weight of 335.83 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloroquinolin-4-yl)oxy-N-[(propan-2-ylamino)methyl]butanamide is sourced from PubChem (CID 90077064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).