N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide

C14H12ClN3O — CID 79286732

IUPACN-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H12ClN3O/c1-2-5-16-9-13(19)18-12-8-11(15)7-10-4-3-6-17-14(10)12/h1,3-4,6-8,16H,5,9H2,(H,18,19)
InChIKeyHNGSCKKVHCWKDU-UHFFFAOYSA-N
MW273.72 g/mol
LogP2.05
Rot. Bonds4

About N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide

N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide (PubChem CID 79286732) has the molecular formula C14H12ClN3O and a molecular weight of 273.72 g/mol. Its IUPAC name is N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
PubChem CID79286732
Molecular FormulaC14H12ClN3O
Molecular Weight273.72 g/mol
Exact Mass273.07
IUPAC NameN-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)Nc1cc(Cl)cc2cccnc12
InChIInChI=1S/C14H12ClN3O/c1-2-5-16-9-13(19)18-12-8-11(15)7-10-4-3-6-17-14(10)12/h1,3-4,6-8,16H,5,9H2,(H,18,19)
InChIKeyHNGSCKKVHCWKDU-UHFFFAOYSA-N
XLogP2.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-chloroquinolin-8-yl)-2-(cyclopropylamino)acetamide
CID 60842689
N-(6-chloroquinolin-8-yl)-5-hydroxypentanamide
CID 79199292
N-(3-bromoquinolin-8-yl)-2-(prop-2-ynylamino)acetamide
CID 116784396
2-chloro-N-(6-chloroquinolin-8-yl)propanamide
CID 43696479
N-(6-chloroquinolin-8-yl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 24673464
2-(1-aminocyclopentyl)-N-(6-chloroquinolin-8-yl)acetamide
CID 64685201
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
N-(6-chloroquinolin-8-yl)-2-(2,4-difluorophenyl)sulfanylacetamide
CID 24673455
4-chloro-2-[[2-(prop-2-ynylamino)acetyl]amino]benzoic acid
CID 79287048
N-(6-chloroquinolin-8-yl)furan-2-carboxamide
CID 60729929
2-amino-N-(6-chloroquinolin-8-yl)pentanamide
CID 43698605
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981565

Frequently Asked Questions

What is the IUPAC name of N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide (CID 79286732) is N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)Nc1cc(Cl)cc2cccnc12.
What is the InChIKey of N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is HNGSCKKVHCWKDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O/c1-2-5-16-9-13(19)18-12-8-11(15)7-10-4-3-6-17-14(10)12/h1,3-4,6-8,16H,5,9H2,(H,18,19).
What are the key properties of N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide?
N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 273.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloroquinolin-8-yl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 79286732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).