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

C18H21ClN4O2 — CID 1274174

IUPACN-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1ccc2cc(C=NNC(=O)CN3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-6-5-13-9-14(18(19)21-16(13)10-15)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)
InChIKeyXORJKWVPIGGUGH-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.83
Rot. Bonds5

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

N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide (PubChem CID 1274174) has the molecular formula C18H21ClN4O2 and a molecular weight of 360.85 g/mol. Its IUPAC name is N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
PubChem CID1274174
Molecular FormulaC18H21ClN4O2
Molecular Weight360.85 g/mol
Exact Mass360.14
IUPAC NameN-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide
SMILESCOc1ccc2cc(C=NNC(=O)CN3CCCCC3)c(Cl)nc2c1
InChIInChI=1S/C18H21ClN4O2/c1-25-15-6-5-13-9-14(18(19)21-16(13)10-15)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)
InChIKeyXORJKWVPIGGUGH-UHFFFAOYSA-N
XLogP2.83
TPSA66.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(azocan-1-yl)-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 5338397
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 5390979
2-(azepan-1-yl)-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 5338398
N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-(4-methoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 124534853
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 126136011
N-[(2-chloroquinolin-3-yl)methylideneamino]-2-morpholin-4-ylacetamide
CID 761994
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 94838495
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 3538909
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 3128292
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 788742
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-(4-methylpiperazin-1-yl)acetamide
CID 5406502
N-[(Z)-(2-chloro-6-methoxyquinolin-3-yl)methylideneamino]cyclopropanecarboxamide
CID 9234987

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide (CID 1274174) is N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide is COc1ccc2cc(C=NNC(=O)CN3CCCCC3)c(Cl)nc2c1.
What is the InChIKey of N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
The InChIKey is XORJKWVPIGGUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O2/c1-25-15-6-5-13-9-14(18(19)21-16(13)10-15)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).
What are the key properties of N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide?
N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide has a molecular weight of 360.85 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 1274174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).