3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide

C13H11Cl2N3O2 — CID 116785166

IUPAC3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11Cl2N3O2/c14-6-5-11(19)18-13(20)17-10-4-3-9(15)8-2-1-7-16-12(8)10/h1-4,7H,5-6H2,(H2,17,18,19,20)
InChIKeyQZWBFOJQWBOPBE-UHFFFAOYSA-N
MW312.16 g/mol
LogP3.17
Rot. Bonds3

About 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide

3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide (PubChem CID 116785166) has the molecular formula C13H11Cl2N3O2 and a molecular weight of 312.16 g/mol. Its IUPAC name is 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
PubChem CID116785166
Molecular FormulaC13H11Cl2N3O2
Molecular Weight312.16 g/mol
Exact Mass311.02
IUPAC Name3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide
SMILESO=C(CCCl)NC(=O)Nc1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11Cl2N3O2/c14-6-5-11(19)18-13(20)17-10-4-3-9(15)8-2-1-7-16-12(8)10/h1-4,7H,5-6H2,(H2,17,18,19,20)
InChIKeyQZWBFOJQWBOPBE-UHFFFAOYSA-N
XLogP3.17
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
1-butyl-3-(5-chloroquinolin-8-yl)urea
CID 47201926
1-(5-chloroquinolin-8-yl)-3-cyclopentylurea
CID 47201915
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
2-[(5-chloroquinolin-8-yl)amino]acetic acid
CID 116783965
6-[(5-chloroquinolin-8-yl)amino]hexanoic acid
CID 116784056
2-amino-N-(5-chloroquinolin-8-yl)-3-methylpentanamide
CID 60928670
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
benzyl N-(5-chloroquinolin-8-yl)carbamate
CID 130156860
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide?
The IUPAC name of 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide (CID 116785166) is 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide.
What is the SMILES notation for 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide?
The canonical SMILES for 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide is O=C(CCCl)NC(=O)Nc1ccc(Cl)c2cccnc12.
What is the InChIKey of 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide?
The InChIKey is QZWBFOJQWBOPBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3O2/c14-6-5-11(19)18-13(20)17-10-4-3-9(15)8-2-1-7-16-12(8)10/h1-4,7H,5-6H2,(H2,17,18,19,20).
What are the key properties of 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide?
3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide has a molecular weight of 312.16 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(5-chloroquinolin-8-yl)carbamoyl]propanamide is sourced from PubChem (CID 116785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).