4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide

C23H20N4O3 — CID 44529557

IUPAC4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
SMILESCC(=O)c1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1
InChIInChI=1S/C23H20N4O3/c1-12-21(14(3)30-27-12)16-6-9-18-20(10-16)25-11-19(23(24)29)22(18)26-17-7-4-15(5-8-17)13(2)28/h4-11H,1-3H3,(H2,24,29)(H,25,26)
InChIKeySGXMEYFBICPHKA-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.55
Rot. Bonds5

About 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide

4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide (PubChem CID 44529557) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
PubChem CID44529557
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide
SMILESCC(=O)c1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1
InChIInChI=1S/C23H20N4O3/c1-12-21(14(3)30-27-12)16-6-9-18-20(10-16)25-11-19(23(24)29)22(18)26-17-7-4-15(5-8-17)13(2)28/h4-11H,1-3H3,(H2,24,29)(H,25,26)
InChIKeySGXMEYFBICPHKA-UHFFFAOYSA-N
XLogP4.55
TPSA111.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide (CID 44529557) is 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide is CC(=O)c1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1.
What is the InChIKey of 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
The InChIKey is SGXMEYFBICPHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-12-21(14(3)30-27-12)16-6-9-18-20(10-16)25-11-19(23(24)29)22(18)26-17-7-4-15(5-8-17)13(2)28/h4-11H,1-3H3,(H2,24,29)(H,25,26).
What are the key properties of 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide?
4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylanilino)-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxamide is sourced from PubChem (CID 44529557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).