N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide

C21H30ClN3O — CID 42705893

IUPACN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
SMILESCCCCCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H30ClN3O/c1-2-3-6-9-21(26)25-14-8-5-4-7-13-23-19-12-15-24-20-16-17(22)10-11-18(19)20/h10-12,15-16H,2-9,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQBCXRCPPWJTZPV-UHFFFAOYSA-N
MW375.94 g/mol
LogP5.56
Rot. Bonds12

About N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide

N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide (PubChem CID 42705893) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide.

Molecular Properties

Compound NameN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
PubChem CID42705893
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC NameN-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
SMILESCCCCCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C21H30ClN3O/c1-2-3-6-9-21(26)25-14-8-5-4-7-13-23-19-12-15-24-20-16-17(22)10-11-18(19)20/h10-12,15-16H,2-9,13-14H2,1H3,(H,23,24)(H,25,26)
InChIKeyQBCXRCPPWJTZPV-UHFFFAOYSA-N
XLogP5.56
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.94
LogP ≤ 55.56
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-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
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
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
7-chloro-N-[3-[4-[3-(heptylamino)propyl]piperazin-1-yl]propyl]quinolin-4-amine
CID 11048809
(E)-N-[5-[(7-chloroquinolin-4-yl)amino]pentyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 71520943

Frequently Asked Questions

What is the IUPAC name of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide?
The IUPAC name of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide (CID 42705893) is N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide.
What is the SMILES notation for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide?
The canonical SMILES for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide is CCCCCC(=O)NCCCCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide?
The InChIKey is QBCXRCPPWJTZPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-2-3-6-9-21(26)25-14-8-5-4-7-13-23-19-12-15-24-20-16-17(22)10-11-18(19)20/h10-12,15-16H,2-9,13-14H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide?
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide has a molecular weight of 375.94 g/mol, XLogP of 5.56, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide is sourced from PubChem (CID 42705893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).