1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide

C16H19ClN2O2 — CID 170442478

IUPAC1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide
SMILESNC(=O)C1CCC2(Cc3ccccc3N(C(=O)CCl)C2)C1
InChIInChI=1S/C16H19ClN2O2/c17-9-14(20)19-10-16(6-5-12(8-16)15(18)21)7-11-3-1-2-4-13(11)19/h1-4,12H,5-10H2,(H2,18,21)
InChIKeyHZWHMCPDANQZJV-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.09
Rot. Bonds2

About 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide

1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide (PubChem CID 170442478) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide.

Molecular Properties

Compound Name1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide
PubChem CID170442478
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide
SMILESNC(=O)C1CCC2(Cc3ccccc3N(C(=O)CCl)C2)C1
InChIInChI=1S/C16H19ClN2O2/c17-9-14(20)19-10-16(6-5-12(8-16)15(18)21)7-11-3-1-2-4-13(11)19/h1-4,12H,5-10H2,(H2,18,21)
InChIKeyHZWHMCPDANQZJV-UHFFFAOYSA-N
XLogP2.09
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide?
The IUPAC name of 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide (CID 170442478) is 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide.
What is the SMILES notation for 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide?
The canonical SMILES for 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide is NC(=O)C1CCC2(Cc3ccccc3N(C(=O)CCl)C2)C1.
What is the InChIKey of 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide?
The InChIKey is HZWHMCPDANQZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-9-14(20)19-10-16(6-5-12(8-16)15(18)21)7-11-3-1-2-4-13(11)19/h1-4,12H,5-10H2,(H2,18,21).
What are the key properties of 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide?
1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroacetyl)spiro[2,4-dihydroquinoline-3,3'-cyclopentane]-1'-carboxamide is sourced from PubChem (CID 170442478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).