N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide

C19H17Cl2N3O2 — CID 57108059

IUPACN-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C=C2CCNc3cc(Cl)cc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11(25)23-14-2-4-15(5-3-14)24-18(26)8-12-6-7-22-17-10-13(20)9-16(21)19(12)17/h2-5,8-10,22H,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyXYXUDVNKZODIDX-UHFFFAOYSA-N
MW390.27 g/mol
LogP4.79
Rot. Bonds3

About N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide

N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide (PubChem CID 57108059) has the molecular formula C19H17Cl2N3O2 and a molecular weight of 390.27 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide
PubChem CID57108059
Molecular FormulaC19H17Cl2N3O2
Molecular Weight390.27 g/mol
Exact Mass389.07
IUPAC NameN-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide
SMILESCC(=O)Nc1ccc(NC(=O)C=C2CCNc3cc(Cl)cc(Cl)c32)cc1
InChIInChI=1S/C19H17Cl2N3O2/c1-11(25)23-14-2-4-15(5-3-14)24-18(26)8-12-6-7-22-17-10-13(20)9-16(21)19(12)17/h2-5,8-10,22H,6-7H2,1H3,(H,23,25)(H,24,26)
InChIKeyXYXUDVNKZODIDX-UHFFFAOYSA-N
XLogP4.79
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.27
LogP ≤ 54.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide (CID 57108059) is N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide is CC(=O)Nc1ccc(NC(=O)C=C2CCNc3cc(Cl)cc(Cl)c32)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide?
The InChIKey is XYXUDVNKZODIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O2/c1-11(25)23-14-2-4-15(5-3-14)24-18(26)8-12-6-7-22-17-10-13(20)9-16(21)19(12)17/h2-5,8-10,22H,6-7H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide?
N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide has a molecular weight of 390.27 g/mol, XLogP of 4.79, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(5,7-dichloro-2,3-dihydro-1H-quinolin-4-ylidene)acetamide is sourced from PubChem (CID 57108059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).