N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide

C16H20ClN3O2 — CID 46781267

IUPACN-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
SMILESCC(CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O2/c1-11(3-2-7-19-16(22)10-21)20-14-6-8-18-15-9-12(17)4-5-13(14)15/h4-6,8-9,11,21H,2-3,7,10H2,1H3,(H,18,20)(H,19,22)
InChIKeyMJFOIOWFYPCSSQ-UHFFFAOYSA-N
MW321.81 g/mol
LogP2.58
Rot. Bonds7

About N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide

N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide (PubChem CID 46781267) has the molecular formula C16H20ClN3O2 and a molecular weight of 321.81 g/mol. Its IUPAC name is N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
PubChem CID46781267
Molecular FormulaC16H20ClN3O2
Molecular Weight321.81 g/mol
Exact Mass321.12
IUPAC NameN-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide
SMILESCC(CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12
InChIInChI=1S/C16H20ClN3O2/c1-11(3-2-7-19-16(22)10-21)20-14-6-8-18-15-9-12(17)4-5-13(14)15/h4-6,8-9,11,21H,2-3,7,10H2,1H3,(H,18,20)(H,19,22)
InChIKeyMJFOIOWFYPCSSQ-UHFFFAOYSA-N
XLogP2.58
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-aminoethyl N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]carbamate;ethane;ethene
CID 144714247
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
2-[4-[(7-chloroquinolin-4-yl)amino]pentyl-ethylamino]ethanol;phosphoric acid
CID 71586887
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-(1,1,2,2,2-pentadeuterioethyl)amino]ethanol
CID 169441702
butanedioic acid;4-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylpentane-1,4-diamine
CID 69171566
7-chloro-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133365714
N-[4-[(7-chloroquinolin-4-yl)amino]butyl]butanamide
CID 42743564
O-[(3R)-3-[(7-chloroquinolin-4-yl)amino]butyl]hydroxylamine
CID 129361753
2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]-1,1,2,2-tetradeuterioethanol
CID 171394724
N-butyl-2-[(7-chloroquinolin-4-yl)amino]acetamide;hydrochloride
CID 12742474
7-chloro-N-(1-methylsulfanylpropan-2-yl)quinolin-4-amine
CID 115637682
3-N-(7-chloroquinolin-4-yl)-1-N,1-N-diethylbutane-1,3-diamine
CID 10267118

Frequently Asked Questions

What is the IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide?
The IUPAC name of N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide (CID 46781267) is N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide?
The canonical SMILES for N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide is CC(CCCNC(=O)CO)Nc1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide?
The InChIKey is MJFOIOWFYPCSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2/c1-11(3-2-7-19-16(22)10-21)20-14-6-8-18-15-9-12(17)4-5-13(14)15/h4-6,8-9,11,21H,2-3,7,10H2,1H3,(H,18,20)(H,19,22).
What are the key properties of N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide?
N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide has a molecular weight of 321.81 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(7-chloroquinolin-4-yl)amino]pentyl]-2-hydroxyacetamide is sourced from PubChem (CID 46781267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).