N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride

C15H19Cl2N3O — CID 12742474

IUPACN-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
SMILESCCCCNC(=O)CNc1ccnc2cc(Cl)ccc12.Cl
InChIInChI=1S/C15H18ClN3O.ClH/c1-2-3-7-18-15(20)10-19-13-6-8-17-14-9-11(16)4-5-12(13)14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyTZHMZMITRSXWDQ-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.64
Rot. Bonds6

About N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride

N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride (PubChem CID 12742474) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride.

Molecular Properties

Compound NameN-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
PubChem CID12742474
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
SMILESCCCCNC(=O)CNc1ccnc2cc(Cl)ccc12.Cl
InChIInChI=1S/C15H18ClN3O.ClH/c1-2-3-7-18-15(20)10-19-13-6-8-17-14-9-11(16)4-5-12(13)14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyTZHMZMITRSXWDQ-UHFFFAOYSA-N
XLogP3.64
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
N-[6-[(7-chloroquinolin-4-yl)amino]hexyl]hexanamide
CID 42705893
N-butyl-7-chloroquinolin-4-amine
CID 10037042
3-[(7-chloroquinolin-4-yl)amino]-N-propylpropanamide
CID 61065277
N-butyl-2-(4-chloro-2-methylanilino)acetamide
CID 108993148
N,N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine;hydrochloride
CID 44531641
N-(2-butoxyethyl)-7-chloroquinolin-4-amine
CID 61175681
N-(3-chloro-2-methylphenyl)-2-[(7-chloroquinolin-4-yl)amino]acetamide
CID 9339333
N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
CID 46781267
5-[(7-chloroquinolin-4-yl)amino]pentanamide
CID 106238925
tert-butyl N-[3-[3-[(7-chloroquinolin-4-yl)amino]propyl-[4-[3-[(7-chloroquinolin-4-yl)amino]propyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]amino]butyl]amino]propyl]carbamate
CID 118890347
3-[(7-chloroquinolin-4-yl)amino]-N,N-diethylpropanamide
CID 60926754

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride?
The IUPAC name of N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride (CID 12742474) is N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride.
What is the SMILES notation for N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride?
The canonical SMILES for N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride is CCCCNC(=O)CNc1ccnc2cc(Cl)ccc12.Cl.
What is the InChIKey of N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride?
The InChIKey is TZHMZMITRSXWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.ClH/c1-2-3-7-18-15(20)10-19-13-6-8-17-14-9-11(16)4-5-12(13)14;/h4-6,8-9H,2-3,7,10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride?
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride is sourced from PubChem (CID 12742474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).