N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide

C18H21ClN4O — CID 6897090

IUPACN-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C18H21ClN4O/c1-13-5-6-14-10-15(18(19)21-16(14)9-13)11-20-22-17(24)12-23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,24)/b20-11+
InChIKeySFWQXHRHHWAJCJ-RGVLZGJSSA-N
MW344.85 g/mol
LogP3.13
Rot. Bonds4

About N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide

N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 6897090) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID6897090
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCc1ccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C18H21ClN4O/c1-13-5-6-14-10-15(18(19)21-16(14)9-13)11-20-22-17(24)12-23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,24)/b20-11+
InChIKeySFWQXHRHHWAJCJ-RGVLZGJSSA-N
XLogP3.13
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide (CID 6897090) is N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide is Cc1ccc2cc(/C=N/NC(=O)CN3CCCCC3)c(Cl)nc2c1.
What is the InChIKey of N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is SFWQXHRHHWAJCJ-RGVLZGJSSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-13-5-6-14-10-15(18(19)21-16(14)9-13)11-20-22-17(24)12-23-7-3-2-4-8-23/h5-6,9-11H,2-4,7-8,12H2,1H3,(H,22,24)/b20-11+.
What are the key properties of N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 344.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-7-methylquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 6897090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).