N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide

C17H22ClN3O — CID 42743564

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
SMILESCCCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O/c1-2-5-17(22)21-10-4-3-9-19-15-8-11-20-16-12-13(18)6-7-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyUNAPRROBUXYZPL-UHFFFAOYSA-N
MW319.84 g/mol
LogP4.00
Rot. Bonds8

About N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide (PubChem CID 42743564) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
PubChem CID42743564
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
SMILESCCCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C17H22ClN3O/c1-2-5-17(22)21-10-4-3-9-19-15-8-11-20-16-12-13(18)6-7-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyUNAPRROBUXYZPL-UHFFFAOYSA-N
XLogP4.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
N-butyl-7-chloroquinolin-4-amine
CID 10037042
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
N-(7-chloroquinolin-4-yl)-N',N'-diethylbutane-1,4-diamine;phosphoric acid
CID 54601191
ethyl 6-[(7-chloroquinolin-4-yl)amino]-2-cyanohexanoate
CID 156874853

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide (CID 42743564) is N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide is CCCC(=O)NCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide?
The InChIKey is UNAPRROBUXYZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O/c1-2-5-17(22)21-10-4-3-9-19-15-8-11-20-16-12-13(18)6-7-14(15)16/h6-8,11-12H,2-5,9-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide?
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide has a molecular weight of 319.84 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide is sourced from PubChem (CID 42743564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).