5-[(7-chloroquinolin-4-yl)amino]pentanamide

C14H16ClN3O — CID 106238925

IUPAC5-[(7-chloroquinolin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O/c15-10-4-5-11-12(6-8-18-13(11)9-10)17-7-2-1-3-14(16)19/h4-6,8-9H,1-3,7H2,(H2,16,19)(H,17,18)
InChIKeyUAEOOLSSNAKMSJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.96
Rot. Bonds6

About 5-[(7-chloroquinolin-4-yl)amino]pentanamide

5-[(7-chloroquinolin-4-yl)amino]pentanamide (PubChem CID 106238925) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 5-[(7-chloroquinolin-4-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(7-chloroquinolin-4-yl)amino]pentanamide
PubChem CID106238925
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name5-[(7-chloroquinolin-4-yl)amino]pentanamide
SMILESNC(=O)CCCCNc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C14H16ClN3O/c15-10-4-5-11-12(6-8-18-13(11)9-10)17-7-2-1-3-14(16)19/h4-6,8-9H,1-3,7H2,(H2,16,19)(H,17,18)
InChIKeyUAEOOLSSNAKMSJ-UHFFFAOYSA-N
XLogP2.96
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.96
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,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
6-[(7-chloroquinolin-4-yl)amino]hexan-1-ol;hydrochloride
CID 21424794
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754
N-(7-chloroquinolin-4-yl)-N',N'-bis[3-[(7-chloroquinolin-4-yl)amino]propyl]butane-1,4-diamine
CID 130467293
4-bromo-N-[4-[(7-chloroquinolin-4-yl)amino]butyl]benzamide
CID 42743599
4-[(7-chloroquinolin-4-yl)amino]-N-cyclopropylbutanamide
CID 112730857
4-[(7-chloroquinolin-4-yl)amino]butyl nitrate
CID 54051305
N-(7-chloroquinolin-4-yl)-N'-(1,5-naphthyridin-4-yl)butane-1,4-diamine
CID 155559378
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277

Frequently Asked Questions

What is the IUPAC name of 5-[(7-chloroquinolin-4-yl)amino]pentanamide?
The IUPAC name of 5-[(7-chloroquinolin-4-yl)amino]pentanamide (CID 106238925) is 5-[(7-chloroquinolin-4-yl)amino]pentanamide.
What is the SMILES notation for 5-[(7-chloroquinolin-4-yl)amino]pentanamide?
The canonical SMILES for 5-[(7-chloroquinolin-4-yl)amino]pentanamide is NC(=O)CCCCNc1ccnc2cc(Cl)ccc12.
What is the InChIKey of 5-[(7-chloroquinolin-4-yl)amino]pentanamide?
The InChIKey is UAEOOLSSNAKMSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-10-4-5-11-12(6-8-18-13(11)9-10)17-7-2-1-3-14(16)19/h4-6,8-9H,1-3,7H2,(H2,16,19)(H,17,18).
What are the key properties of 5-[(7-chloroquinolin-4-yl)amino]pentanamide?
5-[(7-chloroquinolin-4-yl)amino]pentanamide has a molecular weight of 277.75 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-chloroquinolin-4-yl)amino]pentanamide is sourced from PubChem (CID 106238925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).