4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one

C20H18ClNO2 — CID 23652060

IUPAC4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCOc1cccc2c1NC(=O)C1(CC1)C2/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-24-17-4-2-3-15-16(10-7-13-5-8-14(21)9-6-13)20(11-12-20)19(23)22-18(15)17/h2-10,16H,11-12H2,1H3,(H,22,23)/b10-7+
InChIKeyOVUMPOOKSKRHNH-JXMROGBWSA-N
MW339.82 g/mol
LogP4.88
Rot. Bonds3

About 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one

4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (PubChem CID 23652060) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.

Molecular Properties

Compound Name4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
PubChem CID23652060
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC Name4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one
SMILESCOc1cccc2c1NC(=O)C1(CC1)C2/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C20H18ClNO2/c1-24-17-4-2-3-15-16(10-7-13-5-8-14(21)9-6-13)20(11-12-20)19(23)22-18(15)17/h2-10,16H,11-12H2,1H3,(H,22,23)/b10-7+
InChIKeyOVUMPOOKSKRHNH-JXMROGBWSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The IUPAC name of 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one (CID 23652060) is 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one.
What is the SMILES notation for 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The canonical SMILES for 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one is COc1cccc2c1NC(=O)C1(CC1)C2/C=C/c1ccc(Cl)cc1.
What is the InChIKey of 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
The InChIKey is OVUMPOOKSKRHNH-JXMROGBWSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-24-17-4-2-3-15-16(10-7-13-5-8-14(21)9-6-13)20(11-12-20)19(23)22-18(15)17/h2-10,16H,11-12H2,1H3,(H,22,23)/b10-7+.
What are the key properties of 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one?
4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one has a molecular weight of 339.82 g/mol, XLogP of 4.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-chlorophenyl)ethenyl]-8-methoxyspiro[1,4-dihydroquinoline-3,1'-cyclopropane]-2-one is sourced from PubChem (CID 23652060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).